2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

C15H20FNO3 — CID 43227111

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C15H20FNO3/c1-10-7-17(8-11(2)20-10)9-14(18)13-6-12(16)4-5-15(13)19-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyDQQVUOFDKOCNDX-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.13
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 43227111) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID43227111
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C15H20FNO3/c1-10-7-17(8-11(2)20-10)9-14(18)13-6-12(16)4-5-15(13)19-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyDQQVUOFDKOCNDX-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 63609080
1-(5-fluoro-2-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626411
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61216852
2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 82052122
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366237
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2407847
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 43227111) is 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is DQQVUOFDKOCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-7-17(8-11(2)20-10)9-14(18)13-6-12(16)4-5-15(13)19-3/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 281.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 43227111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).