[6-(propan-2-yloxy)pyridin-3-yl]methanamine

• ChemBase ID: 258848
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: n1c(OC(C)C)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)OC(C)C
• InChI: InChI=1S/C9H14N2O/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,5,10H2,1-2H3
• InChIKey: ZAXOTNRUSOIDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(propan-2-yloxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: (6-isopropoxypyridin-3-yl)methanamine
• Synonyms: [6-(propan-2-yloxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09808644
• PubChem SID: 164314758
• PubChem CID: 20117748

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8502499
• LogD (pH = 7.4): -0.6563292
• Log P: 1.091511
• Molar Refractivity: 48.3186 cm^3
• Polarizability: 18.99777 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.255

Product Information

• Purity: 95%