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

• ChemBase ID: 101156
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12OC(Cc1cccc2N)(C)C
• Canonical SMILES: Nc1cccc2c1OC(C2)(C)C
• InChI: InChI=1S/C10H13NO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6,11H2,1-2H3
• InChIKey: LMTIGABGABPAGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 68298-46-4
• MDL Number: MFCD00075581
• PubChem SID: 162087036
• PubChem CID: 91697

CALCULATED PROPERTIES

• Molar Refractivity: 49.5882 cm^3
• Polarizability: 18.705446 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.682263
• LogD (pH = 7.4): 1.7231417
• Log P: 1.7236888

PROPERTIES

Product Information

• Purity: 95%