[(2-methoxynaphthalen-1-yl)methyl](2-phenylethyl)amine

• ChemBase ID: 310719
• Molecular Formular: C20H21NO
• Molecular Mass: 291.38684
• Monoisotopic Mass: 291.1623143
• SMILES: c1(c2c(ccc1OC)cccc2)CNCCc1ccccc1
• Canonical SMILES: COc1ccc2c(c1CNCCc1ccccc1)cccc2
• InChI: InChI=1S/C20H21NO/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3
• InChIKey: OUEXFKRRQVOJTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxynaphthalen-1-yl)methyl](2-phenylethyl)amine
• IUPAC Traditional name: [(2-methoxynaphthalen-1-yl)methyl](2-phenylethyl)amine
• Synonyms: N-[(2-methoxy-1-naphthyl)methyl]-2-phenylethanamine

Database IDs

• CAS Number: 355140-92-0
• MDL Number: MFCD01445354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1968001
• LogD (pH = 7.4): 2.2539506
• Log P: 4.3765345
• Molar Refractivity: 91.587 cm^3
• Polarizability: 37.077034 Å^3
• Polar Surface Area: 21.26 Å^2