2,4-dimethoxy-N-methylaniline

• ChemBase ID: 242573
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(cc(ccc1NC)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1NC
• InChI: InChI=1S/C9H13NO2/c1-10-8-5-4-7(11-2)6-9(8)12-3/h4-6,10H,1-3H3
• InChIKey: YDMCFZAQNHLBSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-N-methylaniline
• IUPAC Traditional name: 2,4-dimethoxy-N-methylaniline
• Synonyms: 2,4-dimethoxy-N-methylaniline

Database IDs

• MDL Number: MFCD11151113
• PubChem SID: 164298483
• PubChem CID: 15395203

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4460018
• LogD (pH = 7.4): 1.1099743
• Log P: 1.1306814
• Molar Refractivity: 49.1782 cm^3
• Polarizability: 18.343523 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.778

Product Information

• Purity: 95%