6-chloro-N-(3-ethoxypropyl)pyridin-2-amine

• ChemBase ID: 49799
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: n1c(NCCCOCC)cccc1Cl
• Canonical SMILES: CCOCCCNc1cccc(n1)Cl
• InChI: InChI=1S/C10H15ClN2O/c1-2-14-8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,2,4,7-8H2,1H3,(H,12,13)
• InChIKey: QBKSAWLGRWGXOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(3-ethoxypropyl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-(3-ethoxypropyl)pyridin-2-amine
• Synonyms: 6-Chloro-N-(3-ethoxypropyl)-2-pyridinamine

Database IDs

• MDL Number: MFCD13562688
• PubChem SID: 162054562
• PubChem CID: 53410274

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0161207
• LogD (pH = 7.4): 2.0168142
• Log P: 2.016823
• Molar Refractivity: 60.932 cm^3
• Polarizability: 22.409328 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false