[(2-ethoxyphenyl)methyl](ethyl)amine

• ChemBase ID: 312256
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(OCC)cccc1)CNCC
• Canonical SMILES: CCNCc1ccccc1OCC
• InChI: InChI=1S/C11H17NO/c1-3-12-9-10-7-5-6-8-11(10)13-4-2/h5-8,12H,3-4,9H2,1-2H3
• InChIKey: QKWSPHNCLTZVOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethoxyphenyl)methyl](ethyl)amine
• IUPAC Traditional name: [(2-ethoxyphenyl)methyl](ethyl)amine
• Synonyms: (2-ethoxybenzyl)ethylamine

Database IDs

• CAS Number: 869942-06-3
• MDL Number: MFCD04588387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0059994
• LogD (pH = 7.4): 0.3613277
• Log P: 2.0875392
• Molar Refractivity: 55.2664 cm^3
• Polarizability: 21.759228 Å^3
• Polar Surface Area: 21.26 Å^2