N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine

• ChemBase ID: 271300
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: O1c2c(CC1CNC1CC1)cccc2
• Canonical SMILES: c1ccc2c(c1)OC(C2)CNC1CC1
• InChI: InChI=1S/C12H15NO/c1-2-4-12-9(3-1)7-11(14-12)8-13-10-5-6-10/h1-4,10-11,13H,5-8H2
• InChIKey: OEJPZVWTFLXFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
• Synonyms: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD11212549
• PubChem SID: 164327210
• PubChem CID: 43163825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1404003
• LogD (pH = 7.4): 0.031019824
• Log P: 2.0163913
• Molar Refractivity: 55.4366 cm^3
• Polarizability: 22.052889 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.193

Product Information

• Purity: 95%