methyl[1-(naphthalen-2-yl)ethyl]amine

• ChemBase ID: 309010
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c1(cc2c(cc1)cccc2)C(NC)C
• Canonical SMILES: CNC(c1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C13H15N/c1-10(14-2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10,14H,1-2H3
• InChIKey: VRPIUODNLOVPNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(naphthalen-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(naphthalen-2-yl)ethyl]amine
• Synonyms: N-methyl-1-(2-naphthyl)ethanamine

Database IDs

• CAS Number: 106213-84-7
• MDL Number: MFCD09047424

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2710727
• LogD (pH = 7.4): 0.559427
• Log P: 2.9376464
• Molar Refractivity: 60.175 cm^3
• Polarizability: 25.085386 Å^3
• Polar Surface Area: 12.03 Å^2