[5-(3-chlorophenyl)furan-2-yl]methanamine

• ChemBase ID: 306832
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1(oc(cc1)CN)c1cc(Cl)ccc1
• Canonical SMILES: NCc1ccc(o1)c1cccc(c1)Cl
• InChI: InChI=1S/C11H10ClNO/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-6H,7,13H2
• InChIKey: FKGVZOIWZNIIAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(3-chlorophenyl)furan-2-yl]methanamine
• IUPAC Traditional name: [5-(3-chlorophenyl)furan-2-yl]methanamine
• Synonyms: 1-[5-(3-chlorophenyl)-2-furyl]methanamine

Database IDs

• CAS Number: 1017414-86-6
• MDL Number: MFCD02854513

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11397396
• LogD (pH = 7.4): 1.5762485
• Log P: 2.330532
• Molar Refractivity: 56.7408 cm^3
• Polarizability: 23.380796 Å^3
• Polar Surface Area: 39.16 Å^2