6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 245462
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: n12c(c(nc1ccc(c2)C)c1ccccc1)N
• Canonical SMILES: Cc1ccc2n(c1)c(N)c(n2)c1ccccc1
• InChI: InChI=1S/C14H13N3/c1-10-7-8-12-16-13(14(15)17(12)9-10)11-5-3-2-4-6-11/h2-9H,15H2,1H3
• InChIKey: KZSXZCYHPTZFMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD06655298
• PubChem SID: 164301372
• PubChem CID: 4961848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2040433
• LogD (pH = 7.4): 2.315091
• Log P: 2.5664115
• Molar Refractivity: 69.6955 cm^3
• Polarizability: 27.200874 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.501

Product Information

• Purity: 95%