2-(2,5-dibromoanilino)ethanol

C8H9Br2NO — CID 61467228

IUPAC2-(2,5-dibromoanilino)ethanol
SMILESOCCNc1cc(Br)ccc1Br
InChIInChI=1S/C8H9Br2NO/c9-6-1-2-7(10)8(5-6)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyZPIFVXBZMLXMPI-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.62
Rot. Bonds3

About 2-(2,5-dibromoanilino)ethanol

2-(2,5-dibromoanilino)ethanol (PubChem CID 61467228) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is 2-(2,5-dibromoanilino)ethanol.

Molecular Properties

Compound Name2-(2,5-dibromoanilino)ethanol
PubChem CID61467228
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name2-(2,5-dibromoanilino)ethanol
SMILESOCCNc1cc(Br)ccc1Br
InChIInChI=1S/C8H9Br2NO/c9-6-1-2-7(10)8(5-6)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyZPIFVXBZMLXMPI-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
2,5-dibromo-N-decylaniline
CID 63492917
2,5-dibromo-N-(3-methylsulfanylpropyl)aniline
CID 43736602
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
2,5-dibromo-N-(2-phenylsulfanylethyl)aniline
CID 79222849
2,5-dibromo-N-(2,2-difluoroethyl)aniline
CID 61467186
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
5-(2,5-dibromoanilino)-2,2-dimethylpentanenitrile
CID 65253982
N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine
CID 130440900
2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol
CID 130637839

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromoanilino)ethanol?
The IUPAC name of 2-(2,5-dibromoanilino)ethanol (CID 61467228) is 2-(2,5-dibromoanilino)ethanol.
What is the SMILES notation for 2-(2,5-dibromoanilino)ethanol?
The canonical SMILES for 2-(2,5-dibromoanilino)ethanol is OCCNc1cc(Br)ccc1Br.
What is the InChIKey of 2-(2,5-dibromoanilino)ethanol?
The InChIKey is ZPIFVXBZMLXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO/c9-6-1-2-7(10)8(5-6)11-3-4-12/h1-2,5,11-12H,3-4H2.
What are the key properties of 2-(2,5-dibromoanilino)ethanol?
2-(2,5-dibromoanilino)ethanol has a molecular weight of 294.97 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromoanilino)ethanol is sourced from PubChem (CID 61467228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).