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1-(3-methoxyphenyl)propan-2-amine

AlkaPlorer ID: AK021086

Synonym: None

IUPAC Name: 1-(3-methoxyphenyl)propan-2-amine

Structure

SMILES: COC1=CC=CC(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

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Reference

PubChem CID: 152234

CAS: 17862-85-0

NPASS: NPC21890

COCONUT: CNP0080010

Properties Information

Molecule Weight: 165.236

TPSA？: 35.25

MolLogP？: 1.5849

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Rattus norvegicus DOM 8.0 % 10.1021/jm00352a013
Rattus norvegicus Rattus norvegicus DOM 10.0 % 10.1021/jm00352a013
Rattus norvegicus Rattus norvegicus DOM nan None 10.1021/jm00352a013
Rattus norvegicus Rattus norvegicus No. of animals 1.0 None 10.1021/jm00352a013
Rattus norvegicus Rattus norvegicus No. of animals 3.0 None 10.1021/jm00352a013
Rattus norvegicus Rattus norvegicus No. of animals 5.0 None 10.1021/jm00352a013
Rattus norvegicus Serotonin 1 (5-HT1) receptor Ki 2660.0 nM 10.1021/jm00152a005
Rattus norvegicus Serotonin 1 (5-HT1) receptor Ki 2660.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 7850.0 nM 10.1021/jm00152a005
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 7850.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 10000.0 nM 10.1021/acs.jmedchem.7b00085
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 10000.0 nM 10.1021/jm9906062
Rattus norvegicus Serotonin 2b (5-HT2b) receptor Kd 1202.26 nM 10.1021/jm00144a009
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 10000.0 nM 10.1021/jm9906062
Rattus norvegicus Serotonin (5-HT) receptor Kd 1174.9 nM 10.1021/jm00177a017
Rattus norvegicus Serotonin (5-HT) receptor Kd 1174.9 nM 10.1021/jm00185a014
Rattus norvegicus Serotonin (5-HT) receptor Kd 1174.9 nM 10.1021/jm00352a013
None Unchecked KDNB 0.96 None 10.1021/jm00144a009

Metabolism Information