[(2-chlorophenyl)methyl](2-methylpropyl)amine

• ChemBase ID: 312426
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c1(c(Cl)cccc1)CNCC(C)C
• Canonical SMILES: CC(CNCc1ccccc1Cl)C
• InChI: InChI=1S/C11H16ClN/c1-9(2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
• InChIKey: AXXMGIIZNWHLFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl](2-methylpropyl)amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl](2-methylpropyl)amine
• Synonyms: (2-chlorobenzyl)isobutylamine

Database IDs

• CAS Number: 893575-69-4
• MDL Number: MFCD07407364

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.25256044
• LogD (pH = 7.4): 1.5301611
• Log P: 3.3799424
• Molar Refractivity: 57.855 cm^3
• Polarizability: 22.933558 Å^3
• Polar Surface Area: 12.03 Å^2