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

• ChemBase ID: 311339
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c1(c(OC)cccc1)CNCc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CNCc1ccccc1OC
• InChI: InChI=1S/C17H21NO/c1-3-14-8-10-15(11-9-14)12-18-13-16-6-4-5-7-17(16)19-2/h4-11,18H,3,12-13H2,1-2H3
• InChIKey: FCCFWXCSUSBWLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 444907-83-9
• MDL Number: MFCD02107041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2140137
• LogD (pH = 7.4): 2.8686328
• Log P: 4.0563865
• Molar Refractivity: 80.024 cm^3
• Polarizability: 31.311928 Å^3
• Polar Surface Area: 21.26 Å^2