[(2,4-dichlorophenyl)methyl](1-phenylethyl)amine

• ChemBase ID: 311667
• Molecular Formular: C15H15Cl2N
• Molecular Mass: 280.1923
• Monoisotopic Mass: 279.05815485
• SMILES: c1(c(CNC(c2ccccc2)C)ccc(c1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)CNC(c1ccccc1)C
• InChI: InChI=1S/C15H15Cl2N/c1-11(12-5-3-2-4-6-12)18-10-13-7-8-14(16)9-15(13)17/h2-9,11,18H,10H2,1H3
• InChIKey: FICFGTKHQQCELD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dichlorophenyl)methyl](1-phenylethyl)amine
• IUPAC Traditional name: [(2,4-dichlorophenyl)methyl](1-phenylethyl)amine
• Synonyms: (2,4-dichlorobenzyl)(1-phenylethyl)amine

Database IDs

• CAS Number: 356531-87-8
• MDL Number: MFCD03210803

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.21436
• LogD (pH = 7.4): 3.9316072
• Log P: 4.880732
• Molar Refractivity: 77.947 cm^3
• Polarizability: 30.69944 Å^3
• Polar Surface Area: 12.03 Å^2