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'}

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Related Compounds

4-[(2-amino-3,5-dibromophenyl)methylamino]phenol
CID 24837110
(2-amino-3,5-dibromophenyl)methyl-(2-methylpropyl)azanium bromide
CID 159183164
(2-amino-3,5-dibromophenyl)methyl benzoate
CID 154191248
4-[(2-amino-3,5-dibromophenyl)(113C)methylamino]cyclohexan-1-ol
CID 153427955
2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
CID 141473932
2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
CID 117354297
2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
2,4-dibromo-6-chloroaniline
CID 4295982
3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 166221083
2-[2-bromo-5-(bromomethyl)-4-fluorophenyl]ethanol
CID 178075985
4-bromo-2-(bromomethyl)-6-fluoroaniline
CID 130119110
[3,5-dibromo-2-(bromomethyl)phenyl]methanol
CID 22121392

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).