2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone

C8H8BrNO2 — CID 83711359

IUPAC2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
SMILESNCC(=O)c1cc(O)ccc1Br
InChIInChI=1S/C8H8BrNO2/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,11H,4,10H2
InChIKeyXRSXUKPVHJXJIS-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.30
Rot. Bonds2

About 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone

2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone (PubChem CID 83711359) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
PubChem CID83711359
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
SMILESNCC(=O)c1cc(O)ccc1Br
InChIInChI=1S/C8H8BrNO2/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,11H,4,10H2
InChIKeyXRSXUKPVHJXJIS-UHFFFAOYSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2-bromo-5-hydroxyphenyl)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-(2-bromo-5-hydroxyphenyl)-3-chloropropan-1-one
CID 118807508
2-amino-1-(2-bromo-5-hydroxyphenyl)propan-1-one
CID 84704257
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
ethyl (Z)-3-(2-bromo-5-hydroxyphenyl)-3-hydroxy-2-methylprop-2-enoate
CID 54724281
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-bromo-4-hydroxybenzamide
CID 103693582
1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
CID 131190700
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
1-(2-amino-5-hydroxyphenyl)-3-bromopropan-1-one
CID 118835710

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone (CID 83711359) is 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone is NCC(=O)c1cc(O)ccc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone?
The InChIKey is XRSXUKPVHJXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,11H,4,10H2.
What are the key properties of 2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone?
2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone has a molecular weight of 230.06 g/mol, XLogP of 1.30, 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-5-hydroxyphenyl)ethanone is sourced from PubChem (CID 83711359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).