2-(4-aminophenyl)-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 30635
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: n12c(c(nc1cccc2C)c1ccc(N)cc1)NCCOC
• Canonical SMILES: COCCNc1c(nc2n1c(C)ccc2)c1ccc(cc1)N
• InChI: InChI=1S/C17H20N4O/c1-12-4-3-5-15-20-16(13-6-8-14(18)9-7-13)17(21(12)15)19-10-11-22-2/h3-9,19H,10-11,18H2,1-2H3
• InChIKey: LDDIKROUEOLQJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(4-aminophenyl)-N-(2-methoxyethyl)-5-methylimidazo[1,2-a]pyridin-3-amine
• Synonyms: [2-(4-Amino-phenyl)-5-methyl-imidazo[1,2-a]-pyridin-3-yl]-(2-methoxy-ethyl)-amine

Database IDs

• MDL Number: MFCD05253155
• PubChem SID: 160993942
• PubChem CID: 18524620

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.46476275
• LogD (pH = 7.4): 1.5498819
• Log P: 1.6783541
• Molar Refractivity: 91.0413 cm^3
• Polarizability: 34.50421 Å^3
• Polar Surface Area: 64.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false