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

• ChemBase ID: 311035
• Molecular Formular: C16H18ClNO
• Molecular Mass: 275.77322
• Monoisotopic Mass: 275.10769188
• SMILES: c1(c(OC)cccc1)CNCCc1ccc(Cl)cc1
• Canonical SMILES: COc1ccccc1CNCCc1ccc(cc1)Cl
• InChI: InChI=1S/C16H18ClNO/c1-19-16-5-3-2-4-14(16)12-18-11-10-13-6-8-15(17)9-7-13/h2-9,18H,10-12H2,1H3
• InChIKey: IGCXVOWFGAPLMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 625408-34-6
• MDL Number: MFCD01135708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.86697614
• LogD (pH = 7.4): 2.1544492
• Log P: 3.9911025
• Molar Refractivity: 79.9416 cm^3
• Polarizability: 31.2769 Å^3
• Polar Surface Area: 21.26 Å^2