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

• ChemBase ID: 264398
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1(c(OC(C)C)cccn1)N
• Canonical SMILES: CC(Oc1cccnc1N)C
• InChI: InChI=1S/C8H12N2O/c1-6(2)11-7-4-3-5-10-8(7)9/h3-6H,1-2H3,(H2,9,10)
• InChIKey: ZBQGINILKQBRSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10692108
• PubChem SID: 164320308
• PubChem CID: 19378677

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19191864
• LogD (pH = 7.4): 1.0828159
• Log P: 1.1368166
• Molar Refractivity: 44.5456 cm^3
• Polarizability: 16.7706 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.78

Product Information

• Purity: 95%