[2-(3-chlorophenoxy)ethyl](ethyl)amine

• ChemBase ID: 312506
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c1c(Cl)cccc1OCCNCC
• Canonical SMILES: CCNCCOc1cccc(c1)Cl
• InChI: InChI=1S/C10H14ClNO/c1-2-12-6-7-13-10-5-3-4-9(11)8-10/h3-5,8,12H,2,6-7H2,1H3
• InChIKey: BTMVOFNZKPQLOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-chlorophenoxy)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(3-chlorophenoxy)ethyl](ethyl)amine
• Synonyms: 2-(3-chlorophenoxy)-N-ethylethanamine

Database IDs

• CAS Number: 915923-34-1
• MDL Number: MFCD08753022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7714062
• LogD (pH = 7.4): 0.26338792
• Log P: 2.4120238
• Molar Refractivity: 54.799 cm^3
• Polarizability: 21.759935 Å^3
• Polar Surface Area: 21.26 Å^2