3,4,5-trimethoxy-N-methylaniline

• ChemBase ID: 279148
• Molecular Formular: C10H15NO3
• Molecular Mass: 197.231
• Monoisotopic Mass: 197.10519335
• SMILES: c1(c(cc(cc1OC)NC)OC)OC
• Canonical SMILES: COc1cc(NC)cc(c1OC)OC
• InChI: InChI=1S/C10H15NO3/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3/h5-6,11H,1-4H3
• InChIKey: XBSMHLZMLQNTLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxy-N-methylaniline
• IUPAC Traditional name: 3,4,5-trimethoxy-N-methylaniline
• Synonyms: 3,4,5-trimethoxy-N-methylaniline

Database IDs

• MDL Number: MFCD11151350
• PubChem SID: 164335058
• PubChem CID: 14481985

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8692381
• LogD (pH = 7.4): 0.97153586
• Log P: 0.9730101
• Molar Refractivity: 55.6414 cm^3
• Polarizability: 20.875286 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%