(6-methoxynaphthalen-2-yl)methanamine

• ChemBase ID: 252712
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c12c(cc(cc2)OC)ccc(c1)CN
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)CN
• InChI: InChI=1S/C12H13NO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,8,13H2,1H3
• InChIKey: MCCAWZYURZFQOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxynaphthalen-2-yl)methanamine
• IUPAC Traditional name: (6-methoxynaphthalen-2-yl)methanamine
• Synonyms: (6-methoxy-2-naphthyl)methylamine

Database IDs

• MDL Number: MFCD06212602
• PubChem SID: 164308622
• PubChem CID: 16227396

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0524528
• LogD (pH = 7.4): -0.07798886
• Log P: 1.9308197
• Molar Refractivity: 57.4448 cm^3
• Polarizability: 23.817238 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.187

Product Information

• Purity: 95%