[(4-methoxyphenyl)methyl][(4-methylphenyl)methyl]amine

• ChemBase ID: 13237
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1c(ccc(c1)CNCc1ccc(cc1)C)OC
• Canonical SMILES: COc1ccc(cc1)CNCc1ccc(cc1)C
• InChI: InChI=1S/C16H19NO/c1-13-3-5-14(6-4-13)11-17-12-15-7-9-16(18-2)10-8-15/h3-10,17H,11-12H2,1-2H3
• InChIKey: UDAMQTRGVKVYKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl][(4-methylphenyl)methyl]amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl][(4-methylphenyl)methyl]amine
• Synonyms: (4-methoxybenzyl)(4-methylbenzyl)amine; (4-Methoxy-benzyl)-(4-methyl-benzyl)-amine

Database IDs

• CAS Number: 197728-27-1
• MDL Number: MFCD02374910
• PubChem SID: 160976544
• PubChem CID: 742692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5367397
• LogD (pH = 7.4): 1.9434178
• Log P: 3.6118178
• Molar Refractivity: 75.423 cm^3
• Polarizability: 29.465658 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false