(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

• ChemBase ID: 306475
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: O1c2c(CC1(C)C)cc(cc2)CN
• Canonical SMILES: NCc1ccc2c(c1)CC(O2)(C)C
• InChI: InChI=1S/C11H15NO/c1-11(2)6-9-5-8(7-12)3-4-10(9)13-11/h3-5H,6-7,12H2,1-2H3
• InChIKey: TVVYGQVELAATAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
• IUPAC Traditional name: (2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
• Synonyms: 1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

Database IDs

• MDL Number: MFCD09971144

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3116593
• LogD (pH = 7.4): -0.39000306
• Log P: 1.6783832
• Molar Refractivity: 53.3612 cm^3
• Polarizability: 20.938698 Å^3
• Polar Surface Area: 35.25 Å^2