6-(benzyloxy)-2,3-dihydro-1-benzofuran-3-amine

• ChemBase ID: 803003
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: O1CC(c2ccc(cc12)OCc1ccccc1)N
• Canonical SMILES: NC1COc2c1ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C15H15NO2/c16-14-10-18-15-8-12(6-7-13(14)15)17-9-11-4-2-1-3-5-11/h1-8,14H,9-10,16H2
• InChIKey: ZERNYBLJSDKKRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)-2,3-dihydro-1-benzofuran-3-amine
• IUPAC Traditional name: 6-(benzyloxy)-2,3-dihydro-1-benzofuran-3-amine
• Synonyms: 6-(BENZYLOXY)-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.40872905
• LogD (pH = 7.4): 1.089355
• Log P: 2.3963869
• Molar Refractivity: 69.7716 cm^3
• Polarizability: 27.59767 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%