N-(1-benzofuran-2-ylmethyl)cyclopentanamine

• ChemBase ID: 241631
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: o1c(cc2c1cccc2)CNC1CCCC1
• Canonical SMILES: C1CCC(C1)NCc1cc2c(o1)cccc2
• InChI: InChI=1S/C14H17NO/c1-4-8-14-11(5-1)9-13(16-14)10-15-12-6-2-3-7-12/h1,4-5,8-9,12,15H,2-3,6-7,10H2
• InChIKey: INZATFLOOKNDKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzofuran-2-ylmethyl)cyclopentanamine
• IUPAC Traditional name: N-(1-benzofuran-2-ylmethyl)cyclopentanamine
• Synonyms: N-(1-benzofuran-2-ylmethyl)cyclopentanamine

Database IDs

• MDL Number: MFCD11157439
• PubChem SID: 164297541
• PubChem CID: 28610923

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13350317
• LogD (pH = 7.4): 1.221232
• Log P: 2.965421
• Molar Refractivity: 64.4378 cm^3
• Polarizability: 26.614214 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.542

Product Information

• Purity: 95%