[4-(3-methoxyphenyl)phenyl]methanamine

• ChemBase ID: 283056
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c2ccc(cc2)CN)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)CN
• InChI: InChI=1S/C14H15NO/c1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12/h2-9H,10,15H2,1H3
• InChIKey: JBGBLQHEUDMABX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3-methoxyphenyl)phenyl]methanamine
• IUPAC Traditional name: [4-(3-methoxyphenyl)phenyl]methanamine
• Synonyms: [4-(3-methoxyphenyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD08701379
• PubChem SID: 180668587
• PubChem CID: 16244361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39778206
• LogD (pH = 7.4): 0.55358577
• Log P: 2.5885684
• Molar Refractivity: 66.1308 cm^3
• Polarizability: 27.285389 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 2.901

Product Information

• Purity: 95%