1-(6-methoxynaphthalen-2-yl)ethan-1-amine

• ChemBase ID: 306761
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c1(cc2c(cc(cc2)OC)cc1)C(N)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(N)C
• InChI: InChI=1S/C13H15NO/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9H,14H2,1-2H3
• InChIKey: VUFKZXAYBCKZFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxynaphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(6-methoxynaphthalen-2-yl)ethanamine
• Synonyms: 1-(6-methoxy-2-naphthyl)ethanamine

Database IDs

• CAS Number: 133097-30-0
• MDL Number: MFCD08059758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6555773
• LogD (pH = 7.4): 0.13903663
• Log P: 2.3473947
• Molar Refractivity: 61.8636 cm^3
• Polarizability: 25.663422 Å^3
• Polar Surface Area: 35.25 Å^2