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

• ChemBase ID: 307618
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: O1c2c(CC1C)cc(N)cc2
• Canonical SMILES: CC1Oc2c(C1)cc(cc2)N
• InChI: InChI=1S/C9H11NO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4,10H2,1H3
• InChIKey: LSYQSRCIPQPFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2,3-dihydro-1-benzofuran-5-amine
• IUPAC Traditional name: 2-methyl-2,3-dihydro-1-benzofuran-5-amine
• Synonyms: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)amine

Database IDs

• CAS Number: 26210-77-5
• MDL Number: MFCD08060053

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2754242
• LogD (pH = 7.4): 1.4405364
• Log P: 1.4431121
• Molar Refractivity: 44.95 cm^3
• Polarizability: 16.859922 Å^3
• Polar Surface Area: 35.25 Å^2