1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone

C10H12BrNO3 — CID 84713744

IUPAC1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)cc(Br)c1O
InChIInChI=1S/C10H12BrNO3/c1-12-5-9(13)7-3-6(15-2)4-8(11)10(7)14/h3-4,12,14H,5H2,1-2H3
InChIKeyNGYFABOVYBDACP-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.57
Rot. Bonds4

About 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone

1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone (PubChem CID 84713744) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
PubChem CID84713744
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)cc(Br)c1O
InChIInChI=1S/C10H12BrNO3/c1-12-5-9(13)7-3-6(15-2)4-8(11)10(7)14/h3-4,12,14H,5H2,1-2H3
InChIKeyNGYFABOVYBDACP-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

Analyze 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
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-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(3-bromo-5-tert-butyl-2-methoxyphenyl)-2-(methylamino)ethanone
CID 117499837
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
CID 117414294
1-(4-bromo-2-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460894
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone (CID 84713744) is 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is NGYFABOVYBDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12-5-9(13)7-3-6(15-2)4-8(11)10(7)14/h3-4,12,14H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone?
1-(3-bromo-2-hydroxy-5-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-5-methoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84713744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).