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

• ChemBase ID: 312601
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c1(c(OCCNCC)cccc1)Cl
• Canonical SMILES: CCNCCOc1ccccc1Cl
• InChI: InChI=1S/C10H14ClNO/c1-2-12-7-8-13-10-6-4-3-5-9(10)11/h3-6,12H,2,7-8H2,1H3
• InChIKey: DMNHCBIQCGIMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-chlorophenoxy)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(2-chlorophenoxy)ethyl](ethyl)amine
• Synonyms: 2-(2-chlorophenoxy)-N-ethylethanamine

Database IDs

• CAS Number: 915921-75-4
• MDL Number: MFCD08691973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.76746655
• LogD (pH = 7.4): 0.2911127
• Log P: 2.4120238
• Molar Refractivity: 54.799 cm^3
• Polarizability: 21.777592 Å^3
• Polar Surface Area: 21.26 Å^2