[(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine

• ChemBase ID: 293207
• Molecular Formular: C19H19NO
• Molecular Mass: 277.36026
• Monoisotopic Mass: 277.14666423
• SMILES: COc1ccc(cc1)CNCc1c2ccccc2ccc1
• Canonical SMILES: COc1ccc(cc1)CNCc1cccc2c1cccc2
• InChI: InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
• InChIKey: GIFYKGIODMXYNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine; [(4-methoxyphenyl)methyl][(naphthalen-1-yl)methyl]amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine
• Synonyms: N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine; (4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine; (4-methoxybenzyl)(1-naphthylmethyl)amine

Database IDs

• CAS Number: 185669-79-8
• MDL Number: MFCD01469095
• PubChem SID: 180678738
• PubChem CID: 781301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9514036
• LogD (pH = 7.4): 2.1997063
• Log P: 4.0878735
• Molar Refractivity: 86.832 cm^3
• Polarizability: 35.310192 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%