methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})amine

• ChemBase ID: 101258
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1(oc(cc1)CNC)Oc1cnccc1
• Canonical SMILES: CNCc1ccc(o1)Oc1cccnc1
• InChI: InChI=1S/C11H12N2O2/c1-12-7-10-4-5-11(15-10)14-9-3-2-6-13-8-9/h2-6,8,12H,7H2,1H3
• InChIKey: MUKCVLFJCGZPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})amine
• Synonyms: N-methyl-N-{[5-(pyridin-3-yloxy)-2-furyl]methyl}amine

Database IDs

• CAS Number: 859850-77-4
• MDL Number: MFCD07772853
• PubChem SID: 162087518
• PubChem CID: 7164635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6790098
• LogD (pH = 7.4): 0.08586251
• Log P: 0.963747
• Molar Refractivity: 55.0341 cm^3
• Polarizability: 21.831331 Å^3
• Polar Surface Area: 47.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%