[(3-ethoxy-4-methoxyphenyl)methyl](2-phenylethyl)amine

• ChemBase ID: 310820
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: c1(c(ccc(c1)CNCCc1ccccc1)OC)OCC
• Canonical SMILES: CCOc1cc(CNCCc2ccccc2)ccc1OC
• InChI: InChI=1S/C18H23NO2/c1-3-21-18-13-16(9-10-17(18)20-2)14-19-12-11-15-7-5-4-6-8-15/h4-10,13,19H,3,11-12,14H2,1-2H3
• InChIKey: UBWMBZXSIBWFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-ethoxy-4-methoxyphenyl)methyl](2-phenylethyl)amine
• IUPAC Traditional name: [(3-ethoxy-4-methoxyphenyl)methyl](2-phenylethyl)amine
• Synonyms: (3-ethoxy-4-methoxybenzyl)(2-phenylethyl)amine

Database IDs

• CAS Number: 101781-84-4
• MDL Number: MFCD01468494

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.39566344
• LogD (pH = 7.4): 1.3832866
• Log P: 3.5861943
• Molar Refractivity: 86.3486 cm^3
• Polarizability: 33.798946 Å^3
• Polar Surface Area: 30.49 Å^2