5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-amine

• ChemBase ID: 251986
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c12c(cc(c(c2)N)OCC)CC(O1)C
• Canonical SMILES: CCOc1cc2CC(Oc2cc1N)C
• InChI: InChI=1S/C11H15NO2/c1-3-13-11-5-8-4-7(2)14-10(8)6-9(11)12/h5-7H,3-4,12H2,1-2H3
• InChIKey: RXMXPEKPQQPYMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-amine
• IUPAC Traditional name: 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-amine
• Synonyms: 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-amine

Database IDs

• MDL Number: MFCD08444065
• PubChem SID: 164307896
• PubChem CID: 16227064

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6248754
• LogD (pH = 7.4): 1.6420257
• Log P: 1.6422489
• Molar Refractivity: 56.1618 cm^3
• Polarizability: 21.219181 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.396

Product Information

• Purity: 95%