2-(propan-2-yloxy)pyridin-3-amine

• ChemBase ID: 258832
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1(ncccc1N)OC(C)C
• Canonical SMILES: CC(Oc1ncccc1N)C
• InChI: InChI=1S/C8H12N2O/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,9H2,1-2H3
• InChIKey: JIDBUDDBHHWQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)pyridin-3-amine
• IUPAC Traditional name: 2-isopropoxypyridin-3-amine
• Synonyms: 2-(propan-2-yloxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD09816786
• PubChem SID: 164314742
• PubChem CID: 21850847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1341327
• LogD (pH = 7.4): 1.1367828
• Log P: 1.1368166
• Molar Refractivity: 44.5456 cm^3
• Polarizability: 16.773865 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.941

Product Information

• Purity: 95%