6,7-dimethyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride

• ChemBase ID: 269995
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c12c(ccc(c2C)C)C(CO1)N.Cl
• Canonical SMILES: NC1COc2c1ccc(c2C)C.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-6-3-4-8-9(11)5-12-10(8)7(6)2;/h3-4,9H,5,11H2,1-2H3;1H
• InChIKey: AMRPALXVPNMFTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17167187
• PubChem SID: 164325905
• PubChem CID: 50988131

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.98316956
• LogD (pH = 7.4): 0.46523505
• Log P: 1.8564279
• Molar Refractivity: 48.7782 cm^3
• Polarizability: 19.0167 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.798

Product Information

• Purity: 95%