1-Benzyl-(R)-Propylamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.

Amphetamines and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenethylamines

Calculated Property

kind Value Source
logP 2.3 ALOGPS
logS -2.3 ALOGPS
Water Solubility 7.80e-01 g/l ALOGPS
logP 2.33 ChemAxon
IUPAC Name (2S)-1-phenylbutan-2-amine ChemAxon
Traditional IUPAC Name 1-benzyl-(R)-propylamine ChemAxon
Molecular Weight 149.2328 ChemAxon
Monoisotopic Weight 149.120449485 ChemAxon
SMILES CC[C@H](N)CC1=CC=CC=C1 ChemAxon
Molecular Formula C10H15N ChemAxon
InChI InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m0/s1 ChemAxon
InChIKey InChIKey=IOLQWLOHKZENDW-JTQLQIEISA-N ChemAxon
Polar Surface Area (PSA) 26.02 ChemAxon
Refractivity 48.23 ChemAxon
Polarizability 18.11 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 10.04 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Gag-Pol polyprotein : in HIV-1