3-{imidazo[1,2-a]pyridin-2-ylmethoxy}-4-methoxyaniline

• ChemBase ID: 261119
• Molecular Formular: C15H15N3O2
• Molecular Mass: 269.2985
• Monoisotopic Mass: 269.11642674
• SMILES: n1c2n(cc1COc1cc(N)ccc1OC)cccc2
• Canonical SMILES: COc1ccc(cc1OCc1nc2n(c1)cccc2)N
• InChI: InChI=1S/C15H15N3O2/c1-19-13-6-5-11(16)8-14(13)20-10-12-9-18-7-3-2-4-15(18)17-12/h2-9H,10,16H2,1H3
• InChIKey: RANUIZFTOWURQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-ylmethoxy}-4-methoxyaniline
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-ylmethoxy}-4-methoxyaniline
• Synonyms: 3-{imidazo[1,2-a]pyridin-2-ylmethoxy}-4-methoxyaniline

Database IDs

• MDL Number: MFCD09947036
• PubChem SID: 164317029
• PubChem CID: 24707500

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0012336
• LogD (pH = 7.4): 1.41271
• Log P: 1.4212259
• Molar Refractivity: 77.6536 cm^3
• Polarizability: 29.05139 Å^3
• Polar Surface Area: 61.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 1.716

Product Information

• Purity: 95%