2-(4-bromophenyl)-3-methylmorpholine

• ChemBase ID: 243784
• Molecular Formular: C11H14BrNO
• Molecular Mass: 256.13896
• Monoisotopic Mass: 255.02587607
• SMILES: C1(c2ccc(cc2)Br)OCCNC1C
• Canonical SMILES: CC1NCCOC1c1ccc(cc1)Br
• InChI: InChI=1S/C11H14BrNO/c1-8-11(14-7-6-13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
• InChIKey: FWXJFYRBAJTHOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-3-methylmorpholine
• IUPAC Traditional name: 2-(4-bromophenyl)-3-methylmorpholine
• Synonyms: 2-(4-bromophenyl)-3-methylmorpholine

Database IDs

• MDL Number: MFCD11646220
• PubChem SID: 164299694
• PubChem CID: 43350805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.02766945
• LogD (pH = 7.4): 1.7018442
• Log P: 2.558189
• Molar Refractivity: 60.0923 cm^3
• Polarizability: 23.75857 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.532

Product Information

• Purity: 95%