General Information of the Compound
Compound ID
CP0507779
Compound Name
(+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine
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Synonyms
1-(3-Methoxyphenyl)-2-propanamine #
1-(3-methoxyphenyl)-2-propylamine
1-(3-methoxyphenyl)propan-2-amine
17862-85-0
17862-91-8
2-(3-Methoxy-phenyl)-1-methyl-ethylamine
2-(3-Methoxyphenyl)-1-methylethylamine
3-Methoxyamphetamine
3-methoxyamphetamine -
AC1L47YE
AKOS000157039
AKOS022196418
BDBM50024211
Benzeneethanamine, 3-methoxy-alpha-methyl-
CHEMBL16247
CTK0H8604
MB01562
MCULE-6670391418
NCI60_042089
NCIOpen2_006073
SCHEMBL269071
VEJWNIYARKAHFI-UHFFFAOYSA-N
meta-Methoxyamphetamine
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Structure
Formula
C10H15NO
Molecular Weight
165.236
Canonical SMILES
COc1cccc(CC(C)N)c1
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InChI
InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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InChIKey
VEJWNIYARKAHFI-UHFFFAOYSA-N
CAS
17862-91-8
17862-85-0
Physicochemical Property
logP
1.5849
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 152234
ChEMBL ID
CHEMBL16247
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
 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 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(3-Methoxy-phenyl)-1-methyl-ethylamine )
Drug Name 2-(3-Methoxy-phenyl)-1-methyl-ethylamine
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor
5-HT 1A receptor (HTR1A)
 Target Info 
Inhibitor
5-HT 1D receptor (HTR1D)
 Target Info 
Inhibitor