N-[(2-methoxyphenyl)methyl]-2,4-dimethylaniline

• ChemBase ID: 28781
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: N(c1c(cc(cc1)C)C)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CNc1ccc(cc1C)C
• InChI: InChI=1S/C16H19NO/c1-12-8-9-15(13(2)10-12)17-11-14-6-4-5-7-16(14)18-3/h4-10,17H,11H2,1-3H3
• InChIKey: YZCYPPTUENKSRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2,4-dimethylaniline
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2,4-dimethylaniline
• Synonyms: N-(2-Methoxybenzyl)-2,4-dimethylaniline

Database IDs

• MDL Number: MFCD07579071
• PubChem SID: 160992088
• PubChem CID: 17604693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.018401
• LogD (pH = 7.4): 4.0393944
• Log P: 4.0396686
• Molar Refractivity: 77.41 cm^3
• Polarizability: 28.985193 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false