[2-(4-chlorophenoxy)ethyl](ethyl)amine

• ChemBase ID: 312493
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c1(Cl)ccc(cc1)OCCNCC
• Canonical SMILES: CCNCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C10H14ClNO/c1-2-12-7-8-13-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
• InChIKey: INHPFDQLWFMHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenoxy)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(4-chlorophenoxy)ethyl](ethyl)amine
• Synonyms: 2-(4-chlorophenoxy)-N-ethylethanamine

Database IDs

• CAS Number: 58506-57-3
• MDL Number: MFCD08753021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.77238506
• LogD (pH = 7.4): 0.25625208
• Log P: 2.4120238
• Molar Refractivity: 54.799 cm^3
• Polarizability: 21.750853 Å^3
• Polar Surface Area: 21.26 Å^2