[(4-methoxyphenyl)methyl](naphthalen-2-ylmethyl)amine

• ChemBase ID: 310819
• Molecular Formular: C19H19NO
• Molecular Mass: 277.36026
• Monoisotopic Mass: 277.14666423
• SMILES: c12cc(ccc1cccc2)CNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H19NO/c1-21-19-10-7-15(8-11-19)13-20-14-16-6-9-17-4-2-3-5-18(17)12-16/h2-12,20H,13-14H2,1H3
• InChIKey: QFASUHSSHNOXCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 355816-03-4
• MDL Number: MFCD01468492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.009272
• LogD (pH = 7.4): 2.4088588
• Log P: 4.0878735
• Molar Refractivity: 86.832 cm^3
• Polarizability: 35.3094 Å^3
• Polar Surface Area: 21.26 Å^2