2-(2-amino-3,5-dibromophenyl)ethanol

C8H9Br2NO — CID 141259371

IUPAC2-(2-amino-3,5-dibromophenyl)ethanol
SMILESNc1c(Br)cc(Br)cc1CCO
InChIInChI=1S/C8H9Br2NO/c9-6-3-5(1-2-12)8(11)7(10)4-6/h3-4,12H,1-2,11H2
InChIKeyUXOILFRJWFJHER-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.33
Rot. Bonds2

About 2-(2-amino-3,5-dibromophenyl)ethanol

2-(2-amino-3,5-dibromophenyl)ethanol (PubChem CID 141259371) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is 2-(2-amino-3,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-3,5-dibromophenyl)ethanol
PubChem CID141259371
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name2-(2-amino-3,5-dibromophenyl)ethanol
SMILESNc1c(Br)cc(Br)cc1CCO
InChIInChI=1S/C8H9Br2NO/c9-6-3-5(1-2-12)8(11)7(10)4-6/h3-4,12H,1-2,11H2
InChIKeyUXOILFRJWFJHER-UHFFFAOYSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-3,5-dibromophenyl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,5-dibromophenyl)ethanol?
The IUPAC name of 2-(2-amino-3,5-dibromophenyl)ethanol (CID 141259371) is 2-(2-amino-3,5-dibromophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-3,5-dibromophenyl)ethanol?
The canonical SMILES for 2-(2-amino-3,5-dibromophenyl)ethanol is Nc1c(Br)cc(Br)cc1CCO.
What is the InChIKey of 2-(2-amino-3,5-dibromophenyl)ethanol?
The InChIKey is UXOILFRJWFJHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO/c9-6-3-5(1-2-12)8(11)7(10)4-6/h3-4,12H,1-2,11H2.
What are the key properties of 2-(2-amino-3,5-dibromophenyl)ethanol?
2-(2-amino-3,5-dibromophenyl)ethanol has a molecular weight of 294.97 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-dibromophenyl)ethanol is sourced from PubChem (CID 141259371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).