1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone

C21H24FNO2 — CID 110327442

IUPAC1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ccc(C2CN(C(=O)Cc3ccc(F)cc3)C(C)(C)CO2)cc1
InChIInChI=1S/C21H24FNO2/c1-15-4-8-17(9-5-15)19-13-23(21(2,3)14-25-19)20(24)12-16-6-10-18(22)11-7-16/h4-11,19H,12-14H2,1-3H3
InChIKeyRZCZBSAKNNFLDL-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.06
Rot. Bonds3

About 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone

1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 110327442) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
PubChem CID110327442
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ccc(C2CN(C(=O)Cc3ccc(F)cc3)C(C)(C)CO2)cc1
InChIInChI=1S/C21H24FNO2/c1-15-4-8-17(9-5-15)19-13-23(21(2,3)14-25-19)20(24)12-16-6-10-18(22)11-7-16/h4-11,19H,12-14H2,1-3H3
InChIKeyRZCZBSAKNNFLDL-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
N-cyclohexyl-5,5-dimethyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 110327448

Frequently Asked Questions

What is the IUPAC name of 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone (CID 110327442) is 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone is Cc1ccc(C2CN(C(=O)Cc3ccc(F)cc3)C(C)(C)CO2)cc1.
What is the InChIKey of 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is RZCZBSAKNNFLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-15-4-8-17(9-5-15)19-13-23(21(2,3)14-25-19)20(24)12-16-6-10-18(22)11-7-16/h4-11,19H,12-14H2,1-3H3.
What are the key properties of 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 341.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110327442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).