5-chloro-2-ethyl-3-methyl-1-benzofuran-7-amine

• ChemBase ID: 308479
• Molecular Formular: C11H12ClNO
• Molecular Mass: 209.67208
• Monoisotopic Mass: 209.06074169
• SMILES: c12c(oc(c1C)CC)c(cc(c2)Cl)N
• Canonical SMILES: CCc1oc2c(c1C)cc(cc2N)Cl
• InChI: InChI=1S/C11H12ClNO/c1-3-10-6(2)8-4-7(12)5-9(13)11(8)14-10/h4-5H,3,13H2,1-2H3
• InChIKey: UWMAPXLLIJGCQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-ethyl-3-methyl-1-benzofuran-7-amine
• IUPAC Traditional name: 5-chloro-2-ethyl-3-methyl-1-benzofuran-7-amine
• Synonyms: (5-chloro-2-ethyl-3-methyl-1-benzofuran-7-yl)amine

Database IDs

• MDL Number: MFCD10686627

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.142968
• LogD (pH = 7.4): 3.1429927
• Log P: 3.142993
• Molar Refractivity: 59.1192 cm^3
• Polarizability: 23.07583 Å^3
• Polar Surface Area: 39.16 Å^2