5-bromo-N-[2-(morpholin-4-yl)ethyl]pyridin-2-amine

• ChemBase ID: 286857
• Molecular Formular: C11H16BrN3O
• Molecular Mass: 286.16824
• Monoisotopic Mass: 285.04767415
• SMILES: Brc1cnc(NCCN2CCOCC2)cc1
• Canonical SMILES: Brc1ccc(nc1)NCCN1CCOCC1
• InChI: InChI=1S/C11H16BrN3O/c12-10-1-2-11(14-9-10)13-3-4-15-5-7-16-8-6-15/h1-2,9H,3-8H2,(H,13,14)
• InChIKey: OBYPVXGEXMMHLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-[2-(morpholin-4-yl)ethyl]pyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-[2-(morpholin-4-yl)ethyl]pyridin-2-amine
• Synonyms: 5-Bromo-N-(2-morpholinoethyl)pyridin-2-amine

Database IDs

• CAS Number: 364794-56-9
• PubChem SID: 180672388
• PubChem CID: 23438259

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3795204
• LogD (pH = 7.4): 1.3440516
• Log P: 1.3917058
• Molar Refractivity: 69.1248 cm^3
• Polarizability: 25.919151 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%