(furan-2-ylmethyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 13169
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1cc(oc1)CNCc1cnccc1
• Canonical SMILES: c1ccc(cn1)CNCc1ccco1
• InChI: InChI=1S/C11H12N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2
• InChIKey: MZMZQNAMCDNTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(pyridin-3-ylmethyl)amine
• Synonyms: Furan-2-ylmethyl-pyridin-3-ylmethyl-amine; 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)methanamine; (2-furylmethyl)(pyridin-3-ylmethyl)amine; N-(2-furylmethyl)-N-(pyridin-3-ylmethyl)amine

Database IDs

• CAS Number: 460046-47-3
• MDL Number: MFCD03001391
• PubChem SID: 160976476
• PubChem CID: 736510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8562827
• LogD (pH = 7.4): 0.76062804
• Log P: 1.098642
• Molar Refractivity: 54.1526 cm^3
• Polarizability: 21.090649 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.347

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%