1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone

C10H12BrNO3 — CID 84810199

IUPAC1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(OC)c(Br)c1O
InChIInChI=1S/C10H12BrNO3/c1-12-5-7(13)6-3-4-8(15-2)9(11)10(6)14/h3-4,12,14H,5H2,1-2H3
InChIKeySMEACPAWLJOULP-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.57
Rot. Bonds4

About 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone

1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone (PubChem CID 84810199) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
PubChem CID84810199
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(OC)c(Br)c1O
InChIInChI=1S/C10H12BrNO3/c1-12-5-7(13)6-3-4-8(15-2)9(11)10(6)14/h3-4,12,14H,5H2,1-2H3
InChIKeySMEACPAWLJOULP-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
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-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone (CID 84810199) is 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(OC)c(Br)c1O.
What is the InChIKey of 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is SMEACPAWLJOULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12-5-7(13)6-3-4-8(15-2)9(11)10(6)14/h3-4,12,14H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone?
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 274.11 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84810199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).