3-(2-methoxypyridin-4-yl)propan-1-amine

• ChemBase ID: 802549
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: C(CCc1cc(ncc1)OC)N
• Canonical SMILES: NCCCc1ccnc(c1)OC
• InChI: InChI=1S/C9H14N2O/c1-12-9-7-8(3-2-5-10)4-6-11-9/h4,6-7H,2-3,5,10H2,1H3
• InChIKey: RRXUYDVQFCVQMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxypyridin-4-yl)propan-1-amine
• IUPAC Traditional name: 3-(2-methoxypyridin-4-yl)propan-1-amine
• Synonyms: 3-(2-METHOXYPYRIDIN-4-YL)PROPAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9742725
• LogD (pH = 7.4): -1.4462454
• Log P: 1.051358
• Molar Refractivity: 48.5072 cm^3
• Polarizability: 18.922625 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%