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

• ChemBase ID: 311859
• Molecular Formular: C13H14ClNO2
• Molecular Mass: 251.70876
• Monoisotopic Mass: 251.07130637
• SMILES: c1(occc1)CNCCOc1ccc(Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)OCCNCc1ccco1
• InChI: InChI=1S/C13H14ClNO2/c14-11-3-5-12(6-4-11)17-9-7-15-10-13-2-1-8-16-13/h1-6,8,15H,7,9-10H2
• InChIKey: SJVBFYJXYMKDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 433947-84-3
• MDL Number: MFCD03709751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.42592007
• LogD (pH = 7.4): 2.1577296
• Log P: 2.8399355
• Molar Refractivity: 67.0539 cm^3
• Polarizability: 26.372828 Å^3
• Polar Surface Area: 34.4 Å^2