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

C11H14BrNO4 — CID 117488916

IUPAC1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(OC)c(Br)c1O
InChIInChI=1S/C11H14BrNO4/c1-13-5-7(14)6-4-8(16-2)11(17-3)9(12)10(6)15/h4,13,15H,5H2,1-3H3
InChIKeyUNDUFGSDHNTRDG-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.57
Rot. Bonds5

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

1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone (PubChem CID 117488916) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
PubChem CID117488916
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(OC)c(Br)c1O
InChIInChI=1S/C11H14BrNO4/c1-13-5-7(14)6-4-8(16-2)11(17-3)9(12)10(6)15/h4,13,15H,5H2,1-3H3
InChIKeyUNDUFGSDHNTRDG-UHFFFAOYSA-N
XLogP1.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
1-(4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanone
CID 117497175

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone (CID 117488916) is 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)c(OC)c(Br)c1O.
What is the InChIKey of 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is UNDUFGSDHNTRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-13-5-7(14)6-4-8(16-2)11(17-3)9(12)10(6)15/h4,13,15H,5H2,1-3H3.
What are the key properties of 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone?
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 304.14 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117488916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).