6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

• ChemBase ID: 236308
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c12c(ccc(c2OC)OC)C(CO1)N
• Canonical SMILES: COc1c(OC)ccc2c1OCC2N
• InChI: InChI=1S/C10H13NO3/c1-12-8-4-3-6-7(11)5-14-9(6)10(8)13-2/h3-4,7H,5,11H2,1-2H3
• InChIKey: XPXIRRHQAGTFEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
• IUPAC Traditional name: 6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
• Synonyms: 6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

Database IDs

• MDL Number: MFCD18650830
• PubChem SID: 164292218
• PubChem CID: 55269218

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2718718
• LogD (pH = 7.4): -0.750698
• Log P: 0.5142426
• Molar Refractivity: 51.6222 cm^3
• Polarizability: 20.527294 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.581

Product Information

• Purity: 95%