(4-methoxyphenyl)(4-methylphenyl)methanamine

• ChemBase ID: 50352
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: C(c1ccc(cc1)OC)(c1ccc(cc1)C)N
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)C)N
• InChI: InChI=1S/C15H17NO/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10,15H,16H2,1-2H3
• InChIKey: PSFUKRBVHOUBEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(4-methylphenyl)methanamine
• IUPAC Traditional name: (4-methoxyphenyl)(4-methylphenyl)methanamine
• Synonyms: (4-Methoxyphenyl)(4-methylphenyl)methanamine

Database IDs

• CAS Number: 161110-74-3
• MDL Number: MFCD09812085
• PubChem SID: 162055115
• PubChem CID: 4711751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3140733
• LogD (pH = 7.4): 1.5679339
• Log P: 3.2390046
• Molar Refractivity: 70.3186 cm^3
• Polarizability: 27.61643 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