2-[(3,4-dibromophenyl)methylamino]ethanol

C9H11Br2NO — CID 75525100

IUPAC2-[(3,4-dibromophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C9H11Br2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKeyZGXUDGWXDBFKQL-UHFFFAOYSA-N
MW309.00 g/mol
LogP2.29
Rot. Bonds4

About 2-[(3,4-dibromophenyl)methylamino]ethanol

2-[(3,4-dibromophenyl)methylamino]ethanol (PubChem CID 75525100) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methylamino]ethanol
PubChem CID75525100
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name2-[(3,4-dibromophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C9H11Br2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKeyZGXUDGWXDBFKQL-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
CID 113352570
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 107342223
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylethanamine
CID 115692957
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106
4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
CID 28832999
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methylamino]ethanol?
The IUPAC name of 2-[(3,4-dibromophenyl)methylamino]ethanol (CID 75525100) is 2-[(3,4-dibromophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3,4-dibromophenyl)methylamino]ethanol is OCCNCc1ccc(Br)c(Br)c1.
What is the InChIKey of 2-[(3,4-dibromophenyl)methylamino]ethanol?
The InChIKey is ZGXUDGWXDBFKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2.
What are the key properties of 2-[(3,4-dibromophenyl)methylamino]ethanol?
2-[(3,4-dibromophenyl)methylamino]ethanol has a molecular weight of 309.00 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromophenyl)methylamino]ethanol is sourced from PubChem (CID 75525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).