[(3-chlorophenyl)methyl](propyl)amine

• ChemBase ID: 312475
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c1c(Cl)cccc1CNCCC
• Canonical SMILES: CCCNCc1cccc(c1)Cl
• InChI: InChI=1S/C10H14ClN/c1-2-6-12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3
• InChIKey: SVGHLUNRWBUQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-chlorophenyl)methyl](propyl)amine
• IUPAC Traditional name: [(3-chlorophenyl)methyl](propyl)amine
• Synonyms: (3-chlorobenzyl)propylamine

Database IDs

• CAS Number: 39190-98-2
• MDL Number: MFCD07407644

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18479046
• LogD (pH = 7.4): 0.73108685
• Log P: 3.0149696
• Molar Refractivity: 53.3834 cm^3
• Polarizability: 21.084509 Å^3
• Polar Surface Area: 12.03 Å^2