(3-methoxy-4-methylphenyl)methanamine

• ChemBase ID: 265127
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(ccc(c1)CN)C)OC
• Canonical SMILES: COc1cc(CN)ccc1C
• InChI: InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3
• InChIKey: IGAKDRWFTAVNCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-4-methylphenyl)methanamine
• IUPAC Traditional name: (3-methoxy-4-methylphenyl)methanamine
• Synonyms: (3-methoxy-4-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD09809087
• PubChem SID: 164321037
• PubChem CID: 22467613

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5309311
• LogD (pH = 7.4): -0.5745288
• Log P: 1.4547644
• Molar Refractivity: 46.0358 cm^3
• Polarizability: 17.988024 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.512

Product Information

• Purity: 95%