6-methoxy-2,3-dihydro-1-benzofuran-3-amine

• ChemBase ID: 806730
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: O1CC(c2ccc(cc12)OC)N
• Canonical SMILES: COc1ccc2c(c1)OCC2N
• InChI: InChI=1S/C9H11NO2/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4,8H,5,10H2,1H3
• InChIKey: UBNFZTRISBVHJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,3-dihydro-1-benzofuran-3-amine
• IUPAC Traditional name: 6-methoxy-2,3-dihydro-1-benzofuran-3-amine
• Synonyms: 3-BENZOFURANAMINE, 2,3-DIHYDRO-6-METHOXY-

Database IDs

• CAS Number: 109926-37-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1343002
• LogD (pH = 7.4): -0.6376346
• Log P: 0.67191386
• Molar Refractivity: 45.159 cm^3
• Polarizability: 17.995714 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%