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

• ChemBase ID: 259018
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c(Oc2ccc(cc2)C)ccc(c1)N
• Canonical SMILES: Cc1ccc(cc1)Oc1ccc(cn1)N
• InChI: InChI=1S/C12H12N2O/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,13H2,1H3
• InChIKey: JUWMZRPFRFCQMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06447400
• PubChem SID: 164314928
• PubChem CID: 4763818

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.534497
• LogD (pH = 7.4): 2.5348096
• Log P: 2.5348136
• Molar Refractivity: 60.197 cm^3
• Polarizability: 22.668541 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 2.915

Product Information

• Purity: 95%