4-methoxy-N,N-dimethylaniline

• ChemBase ID: 241064
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(N(C)C)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N(C)C
• InChI: InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3
• InChIKey: ZTKDMNHEQMILPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N,N-dimethylaniline
• IUPAC Traditional name: N,N-dimethyl P-anisidine
• Synonyms: 4-methoxy-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD00155300
• PubChem SID: 164296974
• PubChem CID: 69700

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5948893
• LogD (pH = 7.4): 1.9174687
• Log P: 1.9236184
• Molar Refractivity: 46.9498 cm^3
• Polarizability: 17.672394 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.33

Product Information

• Purity: 95%