2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C15H20BrNO3 — CID 48688350

IUPAC2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc(Br)cc2)CC(C)(C)O1
InChIInChI=1S/C15H20BrNO3/c1-11-8-17(10-15(2,3)20-11)14(18)9-19-13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyAOYDZZHALLRWDE-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 48688350) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID48688350
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc(Br)cc2)CC(C)(C)O1
InChIInChI=1S/C15H20BrNO3/c1-11-8-17(10-15(2,3)20-11)14(18)9-19-13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyAOYDZZHALLRWDE-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 114781317
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 138052248
2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 95586217
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406764
2-(4-bromophenoxy)-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 119037619
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 48688350) is 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)COc2ccc(Br)cc2)CC(C)(C)O1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is AOYDZZHALLRWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11-8-17(10-15(2,3)20-11)14(18)9-19-13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 342.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 48688350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).