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

• ChemBase ID: 260462
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1c(OC(C)C)ccc(c1)N
• Canonical SMILES: CC(Oc1ccc(cn1)N)C
• InChI: InChI=1S/C8H12N2O/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3
• InChIKey: ZHOGVKFSKSGQRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(propan-2-yloxy)pyridin-3-amine
• IUPAC Traditional name: 6-isopropoxypyridin-3-amine
• Synonyms: 6-(propan-2-yloxy)pyridin-3-amine

Database IDs

• CAS Number: 52025-36-2
• MDL Number: MFCD07374881
• PubChem SID: 164316372
• PubChem CID: 21484141

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1340258
• LogD (pH = 7.4): 1.1367815
• Log P: 1.1368166
• Molar Refractivity: 44.5456 cm^3
• Polarizability: 16.771984 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%; 98%