5-bromo-N-(3-ethoxypropyl)pyridin-2-amine

• ChemBase ID: 49798
• Molecular Formular: C10H15BrN2O
• Molecular Mass: 259.1429
• Monoisotopic Mass: 258.03677511
• SMILES: n1c(NCCCOCC)ccc(c1)Br
• Canonical SMILES: CCOCCCNc1ccc(cn1)Br
• InChI: InChI=1S/C10H15BrN2O/c1-2-14-7-3-6-12-10-5-4-9(11)8-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
• InChIKey: AXKFRYCCCNMEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(3-ethoxypropyl)pyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-(3-ethoxypropyl)pyridin-2-amine
• Synonyms: N-(5-Bromo-2-pyridinyl)-N-(3-ethoxypropyl)amine; 5-bromo-N-(3-ethoxypropyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD11116339
• PubChem SID: 162054561
• PubChem CID: 28540776

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8769926
• LogD (pH = 7.4): 1.9601749
• Log P: 1.9613539
• Molar Refractivity: 62.6887 cm^3
• Polarizability: 23.276285 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.856

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%