General
Preferred name
PD046620
Synonyms
2-Phenylpropan-1-amine (hydrochloride) ()
BMPEA (hydrochloride) ()
2-phenyl-propylamine ()
BMPEA hydrochloride ()
P&D ID
PD046620
CAS
52991-03-4
20388-87-8
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2-Phenylpropan-1-amine hydrochloride, a phenethylamine compound, is an agonist of the human trace amine-associated receptor 1 (TAAR1)[1].
DESCRIPTION This compound is a positional isomer of the drug . Like amphetamine it acts as a trace amine associated receptor 1 (TAAR1) agonist . (GtoPdb)
DESCRIPTION BMPEA hydrochloride is a positional isomer of amphetamine. It acts as an agonist of the human trace amine-associated receptor 1. (Enamine Bioactive Compounds)
Compound Sets
5
Cayman Chemical Bioactives
17742
Enamine Bioactive Compounds
EBC-253322
EU-OPENSCREEN Bioactive Compound Library
EOS102186
Guide to Pharmacology
5510
MedChem Express Bioactive Compound Library
HY-W005394
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
135.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.75
TPSA
26.02
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Trace Amine-associated Receptor (TAAR)
Pathway
GPCR/G protein
Source data