2-{[2-(4-chlorophenoxy)ethyl]amino}ethan-1-ol

• ChemBase ID: 311180
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: c1(Cl)ccc(cc1)OCCNCCO
• Canonical SMILES: OCCNCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C10H14ClNO2/c11-9-1-3-10(4-2-9)14-8-6-12-5-7-13/h1-4,12-13H,5-8H2
• InChIKey: BUKVPWXVYQWHAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(4-chlorophenoxy)ethyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[2-(4-chlorophenoxy)ethyl]amino}ethanol
• Synonyms: 2-{[2-(4-chlorophenoxy)ethyl]amino}ethanol

Database IDs

• CAS Number: 99513-36-7
• MDL Number: MFCD02051775

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6825119
• LogD (pH = 7.4): -0.22625351
• Log P: 1.3651139
• Molar Refractivity: 56.3427 cm^3
• Polarizability: 22.38529 Å^3
• Polar Surface Area: 41.49 Å^2