[(4-methoxynaphthalen-1-yl)methyl](propan-2-yl)amine

• ChemBase ID: 311052
• Molecular Formular: C15H19NO
• Molecular Mass: 229.31746
• Monoisotopic Mass: 229.14666423
• SMILES: c12c(c(ccc1CNC(C)C)OC)cccc2
• Canonical SMILES: COc1ccc(c2c1cccc2)CNC(C)C
• InChI: InChI=1S/C15H19NO/c1-11(2)16-10-12-8-9-15(17-3)14-7-5-4-6-13(12)14/h4-9,11,16H,10H2,1-3H3
• InChIKey: LHCUVNNACFVGMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxynaphthalen-1-yl)methyl](propan-2-yl)amine
• IUPAC Traditional name: isopropyl[(4-methoxynaphthalen-1-yl)methyl]amine
• Synonyms: N-[(4-methoxy-1-naphthyl)methyl]propan-2-amine

Database IDs

• CAS Number: 418789-18-1
• MDL Number: MFCD01135120

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.086723514
• LogD (pH = 7.4): 0.5433995
• Log P: 3.1367831
• Molar Refractivity: 71.3868 cm^3
• Polarizability: 29.362045 Å^3
• Polar Surface Area: 21.26 Å^2