benzyl[(2,4-dichlorophenyl)methyl]amine

• ChemBase ID: 311673
• Molecular Formular: C14H13Cl2N
• Molecular Mass: 266.16572
• Monoisotopic Mass: 265.04250478
• SMILES: c1(c(ccc(c1)Cl)CNCc1ccccc1)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)CNCc1ccccc1
• InChI: InChI=1S/C14H13Cl2N/c15-13-7-6-12(14(16)8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
• InChIKey: RJIXZWDWKCJXBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(2,4-dichlorophenyl)methyl]amine
• IUPAC Traditional name: benzyl[(2,4-dichlorophenyl)methyl]amine
• Synonyms: N-benzyl-1-(2,4-dichlorophenyl)methanamine

Database IDs

• CAS Number: 14501-87-2
• MDL Number: MFCD02656615

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8443639
• LogD (pH = 7.4): 3.5697038
• Log P: 4.464157
• Molar Refractivity: 73.5282 cm^3
• Polarizability: 28.85692 Å^3
• Polar Surface Area: 12.03 Å^2