butyl[(4-chlorophenyl)methyl]amine

• ChemBase ID: 307716
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c1(Cl)ccc(cc1)CNCCCC
• Canonical SMILES: CCCCNCc1ccc(cc1)Cl
• InChI: InChI=1S/C11H16ClN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
• InChIKey: GGXSMTDUGAXVLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(4-chlorophenyl)methyl]amine
• IUPAC Traditional name: butyl[(4-chlorophenyl)methyl]amine
• Synonyms: N-(4-chlorobenzyl)butan-1-amine

Database IDs

• CAS Number: 16183-32-7
• MDL Number: MFCD00898153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.25504133
• LogD (pH = 7.4): 1.1281163
• Log P: 3.4595382
• Molar Refractivity: 57.9844 cm^3
• Polarizability: 22.928875 Å^3
• Polar Surface Area: 12.03 Å^2