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

C10H12BrNO2 — CID 84709294

IUPAC1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C)c(Br)c1O
InChIInChI=1S/C10H12BrNO2/c1-6-3-4-7(8(13)5-12-2)10(14)9(6)11/h3-4,12,14H,5H2,1-2H3
InChIKeyYKXDMSMQKDVRJH-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.87
Rot. Bonds3

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

1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84709294) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
PubChem CID84709294
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C)c(Br)c1O
InChIInChI=1S/C10H12BrNO2/c1-6-3-4-7(8(13)5-12-2)10(14)9(6)11/h3-4,12,14H,5H2,1-2H3
InChIKeyYKXDMSMQKDVRJH-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
CID 84787306
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-(4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanone
CID 117497175
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 84708836
2-bromo-3-methyl-6-(methylaminomethyl)phenol
CID 84693267
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
1-(2-bromo-3-hydroxy-4-methylphenyl)-2-chloroethanone
CID 171007223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone (CID 84709294) is 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(C)c(Br)c1O.
What is the InChIKey of 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is YKXDMSMQKDVRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-3-4-7(8(13)5-12-2)10(14)9(6)11/h3-4,12,14H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone?
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 258.11 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84709294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).