N-ethyl-3,4-dimethoxyaniline

• ChemBase ID: 255572
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(cc(NCC)ccc1OC)OC
• Canonical SMILES: CCNc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C10H15NO2/c1-4-11-8-5-6-9(12-2)10(7-8)13-3/h5-7,11H,4H2,1-3H3
• InChIKey: PEQJBOMPGWYIRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,4-dimethoxyaniline
• IUPAC Traditional name: N-ethyl-3,4-dimethoxyaniline
• Synonyms: N-ethyl-3,4-dimethoxyaniline

Database IDs

• MDL Number: MFCD03265836
• PubChem SID: 164311482
• PubChem CID: 12686507

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1590819
• LogD (pH = 7.4): 1.4813349
• Log P: 1.4874893
• Molar Refractivity: 53.9268 cm^3
• Polarizability: 20.18474 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.957

Product Information

• Purity: 95%