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

• ChemBase ID: 308749
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: o1c2c(c(c1CC)C)cccc2N
• Canonical SMILES: CCc1oc2c(c1C)cccc2N
• InChI: InChI=1S/C11H13NO/c1-3-10-7(2)8-5-4-6-9(12)11(8)13-10/h4-6H,3,12H2,1-2H3
• InChIKey: JVMACQRLSVISKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 174186-96-0
• MDL Number: MFCD11054013

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5387688
• LogD (pH = 7.4): 2.5389462
• Log P: 2.5389483
• Molar Refractivity: 54.3144 cm^3
• Polarizability: 21.249096 Å^3
• Polar Surface Area: 39.16 Å^2