2-ethoxy-N-propylaniline

• ChemBase ID: 29137
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(OCC)cccc1)NCCC
• Canonical SMILES: CCCNc1ccccc1OCC
• InChI: InChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10)13-4-2/h5-8,12H,3-4,9H2,1-2H3
• InChIKey: BWWYHJBKZRGSLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-N-propylaniline
• IUPAC Traditional name: 2-ethoxy-N-propylaniline
• Synonyms: N-(2-Ethoxyphenyl)-N-propylamine

Database IDs

• MDL Number: MFCD10687765
• PubChem SID: 160992444
• PubChem CID: 20975247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2975223
• LogD (pH = 7.4): 2.520747
• Log P: 2.524491
• Molar Refractivity: 56.7362 cm^3
• Polarizability: 21.36557 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false