[2-(4-methoxyphenyl)ethyl](naphthalen-1-ylmethyl)amine

• ChemBase ID: 310833
• Molecular Formular: C20H21NO
• Molecular Mass: 291.38684
• Monoisotopic Mass: 291.1623143
• SMILES: c12c(CNCCc3ccc(cc3)OC)cccc1cccc2
• Canonical SMILES: COc1ccc(cc1)CCNCc1cccc2c1cccc2
• InChI: InChI=1S/C20H21NO/c1-22-19-11-9-16(10-12-19)13-14-21-15-18-7-4-6-17-5-2-3-8-20(17)18/h2-12,21H,13-15H2,1H3
• InChIKey: KVJGHZHIALFZSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenyl)ethyl](naphthalen-1-ylmethyl)amine
• IUPAC Traditional name: [2-(4-methoxyphenyl)ethyl](naphthalen-1-ylmethyl)amine
• Synonyms: 2-(4-methoxyphenyl)-N-(1-naphthylmethyl)ethanamine

Database IDs

• CAS Number: 416889-35-5
• MDL Number: MFCD01134933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1513785
• LogD (pH = 7.4): 1.7514945
• Log P: 4.3765345
• Molar Refractivity: 91.587 cm^3
• Polarizability: 37.07653 Å^3
• Polar Surface Area: 21.26 Å^2