N-[1-(furan-2-yl)ethyl]pyridin-2-amine

• ChemBase ID: 229729
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1(occc1)C(Nc1ncccc1)C
• Canonical SMILES: CC(c1ccco1)Nc1ccccn1
• InChI: InChI=1S/C11H12N2O/c1-9(10-5-4-8-14-10)13-11-6-2-3-7-12-11/h2-9H,1H3,(H,12,13)
• InChIKey: USNHDBZHLJXKIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-yl)ethyl]pyridin-2-amine
• IUPAC Traditional name: N-[1-(furan-2-yl)ethyl]pyridin-2-amine
• Synonyms: (1-Furan-2-yl-ethyl)-pyridin-2-yl-amine

Database IDs

• MDL Number: MFCD03002309
• PubChem SID: 164285639
• PubChem CID: 3844886

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 18.102287
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0756218
• LogD (pH = 7.4): 1.9694622
• Log P: 2.0241039
• Molar Refractivity: 55.8307 cm^3
• Polarizability: 20.705112 Å^3
• Polar Surface Area: 38.06 Å^2

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 2.049

Product Information

• Purity: 95%