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

C9H10BrNO2 — CID 83843485

IUPAC2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)c(Br)c1O
InChIInChI=1S/C9H10BrNO2/c1-5-2-3-6(7(12)4-11)8(10)9(5)13/h2-3,13H,4,11H2,1H3
InChIKeyNDSLAZVWJJTWCE-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.60
Rot. Bonds2

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

2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone (PubChem CID 83843485) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
PubChem CID83843485
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)c(Br)c1O
InChIInChI=1S/C9H10BrNO2/c1-5-2-3-6(7(12)4-11)8(10)9(5)13/h2-3,13H,4,11H2,1H3
InChIKeyNDSLAZVWJJTWCE-UHFFFAOYSA-N
XLogP1.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-hydroxy-4-methylphenyl)-2-chloroethanone
CID 171007223
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
CID 117285154
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364
2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
CID 84709311

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone (CID 83843485) is 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone is Cc1ccc(C(=O)CN)c(Br)c1O.
What is the InChIKey of 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone?
The InChIKey is NDSLAZVWJJTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-5-2-3-6(7(12)4-11)8(10)9(5)13/h2-3,13H,4,11H2,1H3.
What are the key properties of 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone?
2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone has a molecular weight of 244.09 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone is sourced from PubChem (CID 83843485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).