General Information of the Compound
Compound ID
CP0225516
Compound Name
(+/-)2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine
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Synonyms
1-(2,5-dimethoxyphenyl)propan-2-amine
2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine
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Structure
Formula
C11H17NO2
Molecular Weight
195.262
Canonical SMILES
COc1ccc(OC)c(CC(C)N)c1
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InChI
InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
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InChIKey
LATVFYDIBMDBSY-UHFFFAOYSA-N
CAS
13641-74-2
Physicochemical Property
logP
1.5935
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
44.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 62787
SID: 15959727
ChEMBL ID
CHEMBL8642
DrugBank ID
DB01465
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: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 4720 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5200 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 5200 nM
   TI
   LI
   LO
   TS
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(2,5-dimethoxyphenyl)propan-2-amine )
Drug Name 1-(2,5-dimethoxyphenyl)propan-2-amine
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor