1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone

C11H14BrNO3 — CID 117464842

IUPAC1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C11H14BrNO3/c1-13-6-9(14)7-4-8(12)11(16-3)10(5-7)15-2/h4-5,13H,6H2,1-3H3
InChIKeySOEPAAGLBWGAFR-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.87
Rot. Bonds5

About 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone

1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone (PubChem CID 117464842) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
PubChem CID117464842
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C11H14BrNO3/c1-13-6-9(14)7-4-8(12)11(16-3)10(5-7)15-2/h4-5,13H,6H2,1-3H3
InChIKeySOEPAAGLBWGAFR-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
3-bromo-4,5-dimethoxybenzamide
CID 900808
1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
CID 21109899
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
1-(3-bromo-5-tert-butyl-2-methoxyphenyl)-2-(methylamino)ethanone
CID 117499837
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone (CID 117464842) is 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(Br)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is SOEPAAGLBWGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-13-6-9(14)7-4-8(12)11(16-3)10(5-7)15-2/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 288.14 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117464842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).