[2-(3-methoxyphenyl)phenyl]methanamine

• ChemBase ID: 19474
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c2c(CN)cccc2)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ccccc1CN
• InChI: InChI=1S/C14H15NO/c1-16-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h2-9H,10,15H2,1H3
• InChIKey: XBKCWOTWIUGAPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methoxyphenyl)phenyl]methanamine
• IUPAC Traditional name: [2-(3-methoxyphenyl)phenyl]methanamine
• Synonyms: (3'-Methoxy[1,1'-biphenyl]-2-yl)methanamine

Database IDs

• MDL Number: MFCD08688023
• PubChem SID: 160982781
• PubChem CID: 26189029

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.41398746
• LogD (pH = 7.4): 0.3854315
• Log P: 2.5885684
• Molar Refractivity: 66.1308 cm^3
• Polarizability: 27.286486 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false