6-(4-methoxyphenoxy)pyridin-3-amine

• ChemBase ID: 279305
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1c(Oc2ccc(cc2)OC)ccc(c1)N
• Canonical SMILES: COc1ccc(cc1)Oc1ccc(cn1)N
• InChI: InChI=1S/C12H12N2O2/c1-15-10-3-5-11(6-4-10)16-12-7-2-9(13)8-14-12/h2-8H,13H2,1H3
• InChIKey: HJLNKGPHCMMHMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(4-methoxyphenoxy)pyridin-3-amine
• Synonyms: 6-(4-methoxyphenoxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD00052800
• PubChem SID: 164335215
• PubChem CID: 2800165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.863403
• LogD (pH = 7.4): 1.8637168
• Log P: 1.8637209
• Molar Refractivity: 61.619 cm^3
• Polarizability: 23.41499 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 2.335

Product Information

• Purity: 95%