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

• ChemBase ID: 310883
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c12c(c(ccc1OC)CNC)cccc2
• Canonical SMILES: CNCc1ccc(c2c1cccc2)OC
• InChI: InChI=1S/C13H15NO/c1-14-9-10-7-8-13(15-2)12-6-4-3-5-11(10)12/h3-8,14H,9H2,1-2H3
• InChIKey: XKYKAQFAEQFYDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 76532-35-9
• MDL Number: MFCD01135133

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.85155267
• LogD (pH = 7.4): -0.093739785
• Log P: 2.3634002
• Molar Refractivity: 62.2194 cm^3
• Polarizability: 25.66865 Å^3
• Polar Surface Area: 21.26 Å^2