General Information of the Compound
Compound ID
CP0056899
Compound Name
(2-Benzhydryloxy-ethyl)-dimethyl-amine
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Synonyms
Aleryl
2-(Benzhydryloxy)-N,N-dimethylethanamine
2-(Benzhydryloxy)-N,N-dimethylethylamine
2-(Benzhydryloxy)-N,N-dimethylethylamine, hydrochloride
2-(Diphenylmethoxy)-N,N-dimethylethylamine
2-(diphenylmethoxy)-N,N-dimethylethanamine
2-Diphenylmethoxy-N,N-dimethylethylamine
2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine
2-benzhydryloxy-N,N-dimethylethanamine
2-benzhydryloxyethyl-N,N-dimethylammonium
2-diphenylmethoxy-N,N-demthylethanamine
2PM
58-73-1
Alledryl
Aller-Med
Allerdryl
Allergan B
Allergeval
Allergical
Allergina
Allergival
Allermax Caplets
Alpha-(2-Dimethylaminoethoxy)diphenylmethane
Amidryl
Antistominum
Antitussive
Antomin
Automin
BENADRYL HCl
Bagodryl
Banophen
Banophen Caplets
Baramine
Beldin
Belix
Ben-allergin
Bena
Benachlor
Benadrin
Benadryl
Benadryl (TN)
Benadryl (hydrochloride)
Benadryl Allergy
Benapon
Benhydramin
Benodin
Benodine
Benylan
Benylin
Benzantine
Benzhydramine
Benzhydraminum
Benzhydril
Benzhydroamina
Benzhydryl
Beta-Dimethylamino-aethyl-benzhydryl-aether
Beta-Dimethylamino-aethyl-benzhydryl-aether [German]
Beta-Dimethylaminoethanol diphenylmethyl ether
Beta-Dimethylaminoethylbenzhydrylether
Beta-dimethylaminoethyl benzhydryl ether
Betramin
Compoz
DIPHENHYDRAMINE, ANTISTOMINUM, BENZHYDRAMINE
Dabylen
Debendrin
Dermistina
Dermodrin
Desentol
Diabenyl
Diabylen
Dibendrin
Dibenil
Dibondrin
Difedryl
Difenhidramina
Difenhidramina [INN-Spanish]
Difenhydramin
Difenidramina
Difenidramina [Italian]
Dihidral
Dimedrol
Dimedrol (TN)
Dimedrol base
Dimedryl
Dimehydrinate
Diphantine
Diphen
Diphen Cough
Diphenhist
Diphenhist Captabs
Diphenhydramine
Diphenhydramine (JP15/INN)
Diphenhydramine Base
Diphenhydramine HCl
Diphenhydramine [INN:BAN:JAN]
Diphenhydraminum
Diphenhydraminum [INN-Latin]
Diphenylhydramin
Diphenylhydramine
Dormarex 2
Dryistan
Drylistan
Dylamon
Etanautine
FAR 90X2
Genahist
Histaxin
Hyadrine
Hydramine
Hyrexin
Ibiodral
Medidryl
Mephadryl
N,N-Dimethyl-2-(diphenylmethoxy)-ethylamine hydrochloride
N-(2-(Diphenylmethoxy)ethyl)-N,N-dimethylamine
N-(Benzhydryloksy-etylo)dwumetyloamina
N-(Benzhydryloksy-etylo)dwumetyloamina [Polish]
N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE
Nausen
Nervine Nighttime Sleep-Aid
Novamina
Nytol (TN)
Nytol Quickcaps
Nytol Quickgels;Twilite Caplets
O-Benzhydryldimethylaminoethanol
PM 255
Probedryl
Restamin
Restamin (TN)
Rigidil
S51
Siladryl
Silphen
Sleep-Eze D
Sleep-Eze D Extra Strength
Syntedril
Syntodril
Unisom Sleepgels Maximum Strength
diphenhydramine
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Structure
Formula
C17H21NO
Molecular Weight
255.361
Canonical SMILES
CN(C)CCOC(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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InChIKey
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
CAS
58-73-1
Physicochemical Property
logP
3.3542
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3100
SID: 14749996
ChEMBL ID
CHEMBL657
DrugBank ID
DB01075
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 707.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 14.79 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 84000 nM
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 42657.95 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11000 nM
2 Ki = 11000 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 26915.35 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2570.4 nM
2 IC50 = 26915.35 nM
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 41000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06157, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 24000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04368, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 32000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Diphenhydramine )
Drug Name Diphenhydramine
Company Johnson & Johnson
Indication
Meniere disease
Approved
Target(s)
Histamine N-methyltransferase (HNMT)
Inhibitor
Histamine H1 receptor (H1R)
Antagonist