[2-(4-chlorophenyl)ethyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 311058
• Molecular Formular: C16H18ClNO
• Molecular Mass: 275.77322
• Monoisotopic Mass: 275.10769188
• SMILES: c1(Cl)ccc(cc1)CCNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCc1ccc(cc1)Cl
• InChI: InChI=1S/C16H18ClNO/c1-19-16-8-4-14(5-9-16)12-18-11-10-13-2-6-15(17)7-3-13/h2-9,18H,10-12H2,1H3
• InChIKey: QENTZLVVHHHDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenyl)ethyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [2-(4-chlorophenyl)ethyl][(4-methoxyphenyl)methyl]amine
• Synonyms: 2-(4-chlorophenyl)-N-(4-methoxybenzyl)ethanamine

Database IDs

• CAS Number: 355382-88-6
• MDL Number: MFCD01135770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.789776
• LogD (pH = 7.4): 1.6920186
• Log P: 3.9911025
• Molar Refractivity: 79.9416 cm^3
• Polarizability: 31.276655 Å^3
• Polar Surface Area: 21.26 Å^2