General Information of the Compound
Compound ID
CP0241949
Compound Name
2,2-Diphenyl-ethylamine
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Synonyms
1-Amino-2,2-diphenylethane
2,2- diphenylethylamine
2,2-Diphenyl-ethylamine
2,2-Diphenylethan-1-Amine
2,2-Diphenylethanamine
2,2-Diphenylethanamine #
2,2-Diphenylethylamine
2,2-Diphenylethylamine, 96%
2,2-bis-phenyl-ethylamine
2,2-di(phenyl)ethanamine
2,2-diphenyl ethyl amine
2,2-diphenyl-ethyl-amine
2,2-diphenylethyl-amine
3963-62-0
AC1L2TCM
AC1Q53LU
ACMC-1CSWZ
Benzeneethanamine, b-phenyl-
CHEMBL10780
EINECS 223-565-7
NSC27209
PubChem7986
RXMTUVIKZRXSSM-UHFFFAOYSA-N
beta-phenylbenzeneethanamine
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Structure
Formula
C14H15N
Molecular Weight
197.281
Canonical SMILES
NCC(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
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InChIKey
RXMTUVIKZRXSSM-UHFFFAOYSA-N
CAS
3963-62-0
Physicochemical Property
logP
2.7772
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 77575
SID: 14818678
ChEMBL ID
CHEMBL10780
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: PT00825, 5-hydroxytryptamine receptor 2A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  2
1
Ki = 4140 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 4610 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki = 5700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04763, Trace amine-associated receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,2-Diphenyl-ethylamine )
Drug Name 2,2-Diphenyl-ethylamine
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor