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

• ChemBase ID: 310966
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1(c(OC)cccc1)CNCc1c(C)cccc1
• Canonical SMILES: COc1ccccc1CNCc1ccccc1C
• InChI: InChI=1S/C16H19NO/c1-13-7-3-4-8-14(13)11-17-12-15-9-5-6-10-16(15)18-2/h3-10,17H,11-12H2,1-2H3
• InChIKey: FTJHQOKVUIUOOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 418781-82-5
• MDL Number: MFCD00981198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7461094
• LogD (pH = 7.4): 2.3873014
• Log P: 3.6118178
• Molar Refractivity: 75.423 cm^3
• Polarizability: 29.466183 Å^3
• Polar Surface Area: 21.26 Å^2