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

• ChemBase ID: 311192
• Molecular Formular: C11H16ClNO2
• Molecular Mass: 229.70324
• Monoisotopic Mass: 229.08695644
• SMILES: c1(Cl)ccc(cc1)OCCNCCOC
• Canonical SMILES: COCCNCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C11H16ClNO2/c1-14-8-6-13-7-9-15-11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
• InChIKey: PYVUAQPEIGRTLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 420104-73-0
• MDL Number: MFCD01827045

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.008349
• LogD (pH = 7.4): 0.49414942
• Log P: 2.0082402
• Molar Refractivity: 61.0939 cm^3
• Polarizability: 24.293238 Å^3
• Polar Surface Area: 30.49 Å^2