(4-methoxy-3-methylphenyl)methanamine

• ChemBase ID: 268032
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(ccc(c1)CN)OC)C
• Canonical SMILES: NCc1ccc(c(c1)C)OC
• InChI: InChI=1S/C9H13NO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6,10H2,1-2H3
• InChIKey: XDGSESTXOSTZCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07786727
• PubChem SID: 164323942
• PubChem CID: 23087612

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5381448
• LogD (pH = 7.4): -0.64127374
• Log P: 1.4547644
• Molar Refractivity: 46.0358 cm^3
• Polarizability: 17.98803 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%