1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone

C15H20BrNO3 — CID 43796459

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CC(C)OCC2C)cc1Br
InChIInChI=1S/C15H20BrNO3/c1-10-9-20-11(2)7-17(10)8-14(18)12-4-5-15(19-3)13(16)6-12/h4-6,10-11H,7-9H2,1-3H3
InChIKeyWGSQKASNOVIGNS-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone

1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone (PubChem CID 43796459) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
PubChem CID43796459
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CC(C)OCC2C)cc1Br
InChIInChI=1S/C15H20BrNO3/c1-10-9-20-11(2)7-17(10)8-14(18)12-4-5-15(19-3)13(16)6-12/h4-6,10-11H,7-9H2,1-3H3
InChIKeyWGSQKASNOVIGNS-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 46595482
1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
1-(3-bromo-4-methoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635406
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680649
1-(3-bromo-4-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63165013
1-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]piperidin-4-one
CID 62050465
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764057
(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909204
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone (CID 43796459) is 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone is COc1ccc(C(=O)CN2CC(C)OCC2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
The InChIKey is WGSQKASNOVIGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-10-9-20-11(2)7-17(10)8-14(18)12-4-5-15(19-3)13(16)6-12/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone?
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone has a molecular weight of 342.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43796459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).