N-(furan-2-ylmethyl)pyridin-4-amine

• ChemBase ID: 259534
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(occc1)CNc1ccncc1
• Canonical SMILES: n1ccc(cc1)NCc1ccco1
• InChI: InChI=1S/C10H10N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h1-7H,8H2,(H,11,12)
• InChIKey: ZYYYMIQEZMGFHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)pyridin-4-amine
• IUPAC Traditional name: N-(furan-2-ylmethyl)pyridin-4-amine
• Synonyms: N-(furan-2-ylmethyl)pyridin-4-amine

Database IDs

• MDL Number: MFCD11121729
• PubChem SID: 164315444
• PubChem CID: 11672748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.029741473
• LogD (pH = 7.4): 0.1573386
• Log P: 1.0130713
• Molar Refractivity: 51.0984 cm^3
• Polarizability: 18.859808 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.74

Product Information

• Purity: 95%