1-(4-chlorophenyl)propan-2-amine

• ChemBase ID: 128819
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: Clc1ccc(cc1)CC(N)C
• Canonical SMILES: CC(Cc1ccc(cc1)Cl)N
• InChI: InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
• InChIKey: WWPITPSIWMXDPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)propan-2-amine
• IUPAC Traditional name: para-chloroamphetamine
• Synonyms: Para-Chloroamphetamine

Database IDs

• CAS Number: 64-12-0
• PubChem SID: 162223123
• PubChem CID: 3127
• CHEMBL: 358967
• Chemspider ID: 3015
• Wikipedia Title: Para-Chloroamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.61034775
• LogD (pH = 7.4): -0.058343485
• Log P: 2.4082952
• Molar Refractivity: 48.51 cm^3
• Polarizability: 19.161127 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true