3-methoxy-2,4-dimethylaniline

• ChemBase ID: 255786
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(c(ccc1N)C)OC)C
• Canonical SMILES: COc1c(C)ccc(c1C)N
• InChI: InChI=1S/C9H13NO/c1-6-4-5-8(10)7(2)9(6)11-3/h4-5H,10H2,1-3H3
• InChIKey: MHHZFZZHPGFUBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,4-dimethylaniline
• IUPAC Traditional name: 3-methoxy-2,4-dimethylaniline
• Synonyms: 3-methoxy-2,4-dimethylaniline

Database IDs

• MDL Number: MFCD10686690
• PubChem SID: 164311696
• PubChem CID: 20479941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9794012
• LogD (pH = 7.4): 2.0130448
• Log P: 2.0134914
• Molar Refractivity: 47.304 cm^3
• Polarizability: 17.518623 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 36°C
• Hydrophobicity(logP): 1.952

Product Information

• Purity: 95%