N-ethyl-2,5-dimethoxyaniline

• ChemBase ID: 28970
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(cc(ccc1OC)OC)NCC
• Canonical SMILES: CCNc1cc(OC)ccc1OC
• InChI: InChI=1S/C10H15NO2/c1-4-11-9-7-8(12-2)5-6-10(9)13-3/h5-7,11H,4H2,1-3H3
• InChIKey: MOQAKHHXCJFFGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,5-dimethoxyaniline
• IUPAC Traditional name: N-ethyl-2,5-dimethoxyaniline
• Synonyms: N-Ethyl-2,5-dimethoxyaniline

Database IDs

• MDL Number: MFCD03210692
• PubChem SID: 160992277
• PubChem CID: 11008549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.416204
• LogD (pH = 7.4): 1.4865147
• Log P: 1.4874893
• Molar Refractivity: 53.9268 cm^3
• Polarizability: 20.184492 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false