2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone

C17H25FN2O2 — CID 45183365

IUPAC2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O2/c1-3-19(4-2)13-17(21)20-9-10-22-16(12-20)11-14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyVRPSDZKSPOQZIW-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.94
Rot. Bonds6

About 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone

2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone (PubChem CID 45183365) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
PubChem CID45183365
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O2/c1-3-19(4-2)13-17(21)20-9-10-22-16(12-20)11-14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyVRPSDZKSPOQZIW-UHFFFAOYSA-N
XLogP1.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone (CID 45183365) is 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone is CCN(CC)CC(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
The InChIKey is VRPSDZKSPOQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-3-19(4-2)13-17(21)20-9-10-22-16(12-20)11-14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone has a molecular weight of 308.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 45183365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).