2,3-dihydro-1-benzofuran-2-ylmethanamine

• ChemBase ID: 256098
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: O1c2c(CC1CN)cccc2
• Canonical SMILES: NCC1Cc2c(O1)cccc2
• InChI: InChI=1S/C9H11NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8H,5-6,10H2
• InChIKey: ASPSZCAHOMXPBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-2-ylmethanamine
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-2-ylmethanamine
• Synonyms: (2,3-Dihydrobenzofuran-2-yl)methanamine; 1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

Database IDs

• CAS Number: 21214-11-9
• MDL Number: MFCD03724810
• PubChem SID: 164312008
• PubChem CID: 29905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8472468
• LogD (pH = 7.4): -0.7619287
• Log P: 1.1182463
• Molar Refractivity: 43.4508 cm^3
• Polarizability: 17.25319 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.323

Product Information

• Purity: 95%; 95+%