1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone

C13H16BrNO2 — CID 116919919

IUPAC1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
SMILESCc1ccc(Br)cc1C(=O)CC1COCCN1
InChIInChI=1S/C13H16BrNO2/c1-9-2-3-10(14)6-12(9)13(16)7-11-8-17-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyFMIFILLJBGZDFS-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.32
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone

1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone (PubChem CID 116919919) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
PubChem CID116919919
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
SMILESCc1ccc(Br)cc1C(=O)CC1COCCN1
InChIInChI=1S/C13H16BrNO2/c1-9-2-3-10(14)6-12(9)13(16)7-11-8-17-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyFMIFILLJBGZDFS-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595819
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
CID 115177656
3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881161

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone (CID 116919919) is 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone is Cc1ccc(Br)cc1C(=O)CC1COCCN1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone?
The InChIKey is FMIFILLJBGZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-2-3-10(14)6-12(9)13(16)7-11-8-17-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone?
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone has a molecular weight of 298.18 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116919919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).