[(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine

• ChemBase ID: 310974
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: N(Cc1ccc(cc1)OC)Cc1cc(ccc1)C
• Canonical SMILES: COc1ccc(cc1)CNCc1cccc(c1)C
• InChI: InChI=1S/C16H19NO/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14/h3-10,17H,11-12H2,1-2H3
• InChIKey: KXRKPGJCQZNRGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
• Synonyms: (4-methoxybenzyl)(3-methylbenzyl)amine

Database IDs

• CAS Number: 356093-95-3
• MDL Number: MFCD01469146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5409303
• LogD (pH = 7.4): 1.9558085
• Log P: 3.6118178
• Molar Refractivity: 75.423 cm^3
• Polarizability: 29.465696 Å^3
• Polar Surface Area: 21.26 Å^2