bis(4-methoxyphenyl)methanamine

• ChemBase ID: 24938
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: C(c1ccc(cc1)OC)(c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)N
• InChI: InChI=1S/C15H17NO2/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15H,16H2,1-2H3
• InChIKey: HROGQYMZWGPHIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl)methanamine
• IUPAC Traditional name: bis(4-methoxyphenyl)methanamine
• Synonyms: 1,1-Bis(4-methoxyphenyl)methanamine

Database IDs

• CAS Number: 19293-62-0
• MDL Number: MFCD00191409
• PubChem SID: 160988245
• PubChem CID: 350042

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34681034
• LogD (pH = 7.4): 0.93858254
• Log P: 2.5679119
• Molar Refractivity: 71.7406 cm^3
• Polarizability: 28.334082 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false