[(6-methoxynaphthalen-2-yl)methyl](methyl)amine

• ChemBase ID: 249403
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c12c(cc(cc2)CNC)ccc(c1)OC
• Canonical SMILES: CNCc1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C13H15NO/c1-14-9-10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8,14H,9H2,1-2H3
• InChIKey: XCUUFWUNKMAFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-methoxynaphthalen-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(6-methoxynaphthalen-2-yl)methyl](methyl)amine
• Synonyms: N-[(6-methoxy-2-naphthyl)methyl]-N-methylamine

Database IDs

• MDL Number: MFCD06655778
• PubChem SID: 164305313
• PubChem CID: 4962351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.83863765
• LogD (pH = 7.4): 0.057249047
• Log P: 2.3634002
• Molar Refractivity: 62.2194 cm^3
• Polarizability: 25.663832 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%