[(4-ethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine

• ChemBase ID: 311341
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1(c(OC)cccc1)CNCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CNCc1ccccc1OC
• InChI: InChI=1S/C17H21NO2/c1-3-20-16-10-8-14(9-11-16)12-18-13-15-6-4-5-7-17(15)19-2/h4-11,18H,3,12-13H2,1-2H3
• InChIKey: NVRCYCNSEDFZIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(4-ethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
• Synonyms: (4-ethoxybenzyl)(2-methoxybenzyl)amine

Database IDs

• CAS Number: 444907-10-2
• MDL Number: MFCD02107042

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.52992696
• LogD (pH = 7.4): 2.2184188
• Log P: 3.2975333
• Molar Refractivity: 81.5936 cm^3
• Polarizability: 32.027912 Å^3
• Polar Surface Area: 30.49 Å^2