N-[(2-chlorophenyl)methyl]cyclopropanamine

• ChemBase ID: 312523
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: C1(CC1)NCc1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1CNC1CC1
• InChI: InChI=1S/C10H12ClN/c11-10-4-2-1-3-8(10)7-12-9-5-6-9/h1-4,9,12H,5-7H2
• InChIKey: GCJYLAWVUWEHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]cyclopropanamine
• Synonyms: (2-chlorobenzyl)cyclopropylamine

Database IDs

• CAS Number: 16357-33-8
• MDL Number: MFCD05881943

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25376824
• LogD (pH = 7.4): 1.3937935
• Log P: 2.601204
• Molar Refractivity: 51.322 cm^3
• Polarizability: 20.354778 Å^3
• Polar Surface Area: 12.03 Å^2