3,4-dimethoxy-N-(2-methoxyethyl)aniline

• ChemBase ID: 279370
• Molecular Formular: C11H17NO3
• Molecular Mass: 211.25758
• Monoisotopic Mass: 211.12084341
• SMILES: c1(cc(NCCOC)ccc1OC)OC
• Canonical SMILES: COCCNc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C11H17NO3/c1-13-7-6-12-9-4-5-10(14-2)11(8-9)15-3/h4-5,8,12H,6-7H2,1-3H3
• InChIKey: ZRLXNTVJZCELFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxy-N-(2-methoxyethyl)aniline
• IUPAC Traditional name: 3,4-dimethoxy-N-(2-methoxyethyl)aniline
• Synonyms: 3,4-dimethoxy-N-(2-methoxyethyl)aniline

Database IDs

• MDL Number: MFCD11151969
• PubChem SID: 164335280
• PubChem CID: 28575187

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.992765
• LogD (pH = 7.4): 1.0824333
• Log P: 1.0837059
• Molar Refractivity: 60.2217 cm^3
• Polarizability: 22.726194 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.427

Product Information

• Purity: 95%