2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone

C16H22BrNO3 — CID 79663279

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cc(Br)ccc2OC)C1
InChIInChI=1S/C16H22BrNO3/c1-3-6-18-7-8-21-16(11-18)14(19)10-12-9-13(17)4-5-15(12)20-2/h4-5,9,16H,3,6-8,10-11H2,1-2H3
InChIKeyPWOCQQJSYBJQLT-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.68
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79663279) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79663279
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cc(Br)ccc2OC)C1
InChIInChI=1S/C16H22BrNO3/c1-3-6-18-7-8-21-16(11-18)14(19)10-12-9-13(17)4-5-15(12)20-2/h4-5,9,16H,3,6-8,10-11H2,1-2H3
InChIKeyPWOCQQJSYBJQLT-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663278
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554
2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668781
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783
(2S)-4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125151330
4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239770
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79663279) is 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2cc(Br)ccc2OC)C1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is PWOCQQJSYBJQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-3-6-18-7-8-21-16(11-18)14(19)10-12-9-13(17)4-5-15(12)20-2/h4-5,9,16H,3,6-8,10-11H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 356.26 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79663279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).