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

• ChemBase ID: 310874
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1(ccc(cc1)CNCCc1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCc1ccccc1
• InChI: InChI=1S/C16H19NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
• InChIKey: ONSSOYCKZSYAQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3241-00-7
• MDL Number: MFCD01135829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18245022
• LogD (pH = 7.4): 1.0544683
• Log P: 3.3870578
• Molar Refractivity: 75.1368 cm^3
• Polarizability: 29.468863 Å^3
• Polar Surface Area: 21.26 Å^2