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

• ChemBase ID: 310898
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1(c(OC)cccc1)CNCc1ccc(cc1)C
• Canonical SMILES: COc1ccccc1CNCc1ccc(cc1)C
• InChI: InChI=1S/C16H19NO/c1-13-7-9-14(10-8-13)11-17-12-15-5-3-4-6-16(15)18-2/h3-10,17H,11-12H2,1-2H3
• InChIKey: OQJJHOINEPRSJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 353777-77-2
• MDL Number: MFCD00981016

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7649313
• LogD (pH = 7.4): 2.4170723
• Log P: 3.6118178
• Molar Refractivity: 75.423 cm^3
• Polarizability: 29.465912 Å^3
• Polar Surface Area: 21.26 Å^2