6-(3-ethylphenoxy)pyridin-3-amine

• ChemBase ID: 258983
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1c(Oc2cc(ccc2)CC)ccc(c1)N
• Canonical SMILES: CCc1cccc(c1)Oc1ccc(cn1)N
• InChI: InChI=1S/C13H14N2O/c1-2-10-4-3-5-12(8-10)16-13-7-6-11(14)9-15-13/h3-9H,2,14H2,1H3
• InChIKey: DSOIIYHXKSQABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09934445
• PubChem SID: 164314893
• PubChem CID: 24695844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9790683
• LogD (pH = 7.4): 2.9793782
• Log P: 2.9793823
• Molar Refractivity: 64.798 cm^3
• Polarizability: 24.512905 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.444

Product Information

• Purity: 95%