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

• ChemBase ID: 310975
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c1(ccc(cc1)CCNCc1ccc(cc1)C)OC
• Canonical SMILES: COc1ccc(cc1)CCNCc1ccc(cc1)C
• InChI: InChI=1S/C17H21NO/c1-14-3-5-16(6-4-14)13-18-12-11-15-7-9-17(19-2)10-8-15/h3-10,18H,11-13H2,1-2H3
• InChIKey: PRQXXDYBYUKDEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 418781-20-1
• MDL Number: MFCD01135098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6867787
• LogD (pH = 7.4): 1.4603018
• Log P: 3.900479
• Molar Refractivity: 80.178 cm^3
• Polarizability: 31.23426 Å^3
• Polar Surface Area: 21.26 Å^2