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

• ChemBase ID: 803007
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: C(N)C1COc2c1cccc2
• Canonical SMILES: NCC1COc2c1cccc2
• InChI: InChI=1S/C9H11NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2
• InChIKey: WUVYUJQJHJGINF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-3-yl)methanamine
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-3-ylmethanamine
• Synonyms: 1-(2,3-DIHYDRO-1-BENZOFURAN-3-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2650082
• LogD (pH = 7.4): -1.291768
• Log P: 0.7184322
• Molar Refractivity: 43.7898 cm^3
• Polarizability: 17.251837 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%