N-ethyl-4-propoxyaniline

• ChemBase ID: 29310
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(NCC)ccc(cc1)OCCC
• Canonical SMILES: CCCOc1ccc(cc1)NCC
• InChI: InChI=1S/C11H17NO/c1-3-9-13-11-7-5-10(6-8-11)12-4-2/h5-8,12H,3-4,9H2,1-2H3
• InChIKey: AAYDNJSTPQFOLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-propoxyaniline
• IUPAC Traditional name: N-ethyl-4-propoxyaniline
• Synonyms: N-Ethyl-N-(4-propoxyphenyl)amine

Database IDs

• MDL Number: MFCD10687915
• PubChem SID: 160992617
• PubChem CID: 12244698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9534991
• LogD (pH = 7.4): 2.5097394
• Log P: 2.524491
• Molar Refractivity: 56.7362 cm^3
• Polarizability: 21.363365 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