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

• ChemBase ID: 311318
• Molecular Formular: C17H20ClNO
• Molecular Mass: 289.7998
• Monoisotopic Mass: 289.12334195
• SMILES: c1(Cl)ccc(cc1)CCNCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CNCCc1ccc(cc1)Cl
• InChI: InChI=1S/C17H20ClNO/c1-2-20-17-9-5-15(6-10-17)13-19-12-11-14-3-7-16(18)8-4-14/h3-10,19H,2,11-13H2,1H3
• InChIKey: VEKWQWVTJWDELP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 423739-52-0
• MDL Number: MFCD02052597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1467369
• LogD (pH = 7.4): 2.050332
• Log P: 4.3479104
• Molar Refractivity: 84.6902 cm^3
• Polarizability: 33.121166 Å^3
• Polar Surface Area: 21.26 Å^2