ethyl[2-(2-ethylphenoxy)ethyl]amine

• ChemBase ID: 312313
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(CC)cccc1)OCCNCC
• Canonical SMILES: CCNCCOc1ccccc1CC
• InChI: InChI=1S/C12H19NO/c1-3-11-7-5-6-8-12(11)14-10-9-13-4-2/h5-8,13H,3-4,9-10H2,1-2H3
• InChIKey: ODFYFGVITYRCIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(2-ethylphenoxy)ethyl]amine
• IUPAC Traditional name: ethyl[2-(2-ethylphenoxy)ethyl]amine
• Synonyms: N-ethyl-2-(2-ethylphenoxy)ethanamine

Database IDs

• MDL Number: MFCD08691893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.42063427
• LogD (pH = 7.4): 0.59381497
• Log P: 2.765969
• Molar Refractivity: 59.6364 cm^3
• Polarizability: 23.53034 Å^3
• Polar Surface Area: 21.26 Å^2