(3-methoxy-5-methylphenyl)methanamine

• ChemBase ID: 242232
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(cc(cc(c1)CN)C)OC
• Canonical SMILES: NCc1cc(OC)cc(c1)C
• InChI: InChI=1S/C9H13NO/c1-7-3-8(6-10)5-9(4-7)11-2/h3-5H,6,10H2,1-2H3
• InChIKey: JFONZQGFYUJIFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-5-methylphenyl)methanamine
• IUPAC Traditional name: (3-methoxy-5-methylphenyl)methanamine
• Synonyms: (3-methoxy-5-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD18398317
• PubChem SID: 164298142
• PubChem CID: 46738207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5305712
• LogD (pH = 7.4): -0.57143044
• Log P: 1.4547644
• Molar Refractivity: 46.0358 cm^3
• Polarizability: 17.987204 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%