N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)acetamide

• ChemBase ID: 290259
• Molecular Formular: C14H19FN2O2
• Molecular Mass: 266.3112632
• Monoisotopic Mass: 266.14305608
• SMILES: CC(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
• Canonical SMILES: CC(=O)NCC1OCCN(C1)Cc1ccc(cc1)F
• InChI: InChI=1S/C14H19FN2O2/c1-11(18)16-8-14-10-17(6-7-19-14)9-12-2-4-13(15)5-3-12/h2-5,14H,6-10H2,1H3,(H,16,18)
• InChIKey: IYDYAXXGLUZOJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)acetamide
• IUPAC Traditional name: N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)acetamide
• Synonyms: N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide

Database IDs

• CAS Number: 112913-94-7
• MDL Number: MFCD16619692
• PubChem SID: 180675790
• PubChem CID: 10683176

CALCULATED PROPERTIES

• Acid pKa: 15.248457
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.23736918
• LogD (pH = 7.4): 0.9000479
• Log P: 0.92047393
• Molar Refractivity: 70.9554 cm^3
• Polarizability: 27.43574 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%