2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol

C8H8BrCl2NO — CID 141473932

IUPAC2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
SMILESNc1c(Cl)cc(CCO)c(Br)c1Cl
InChIInChI=1S/C8H8BrCl2NO/c9-6-4(1-2-13)3-5(10)8(12)7(6)11/h3,13H,1-2,12H2
InChIKeyJFVAZYDKXJKVBZ-UHFFFAOYSA-N
MW284.97 g/mol
LogP2.87
Rot. Bonds2

About 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol

2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol (PubChem CID 141473932) has the molecular formula C8H8BrCl2NO and a molecular weight of 284.97 g/mol. Its IUPAC name is 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
PubChem CID141473932
Molecular FormulaC8H8BrCl2NO
Molecular Weight284.97 g/mol
Exact Mass282.92
IUPAC Name2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
SMILESNc1c(Cl)cc(CCO)c(Br)c1Cl
InChIInChI=1S/C8H8BrCl2NO/c9-6-4(1-2-13)3-5(10)8(12)7(6)11/h3,13H,1-2,12H2
InChIKeyJFVAZYDKXJKVBZ-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.97
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2,4,6-trichloroaniline
CID 14898479
2-(2,5-diamino-4-chlorophenyl)ethanol
CID 10197983
2-(2-amino-3,5-dibromophenyl)ethanol
CID 141259371
3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol
CID 11500585
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
2-(5-amino-2-chloro-4-pyridinyl)ethanol
CID 88537888
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
CID 117281244
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
3-bromo-4,5-dichlorobenzene-1,2-diamine
CID 10848635
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol (CID 141473932) is 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol is Nc1c(Cl)cc(CCO)c(Br)c1Cl.
What is the InChIKey of 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol?
The InChIKey is JFVAZYDKXJKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl2NO/c9-6-4(1-2-13)3-5(10)8(12)7(6)11/h3,13H,1-2,12H2.
What are the key properties of 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol?
2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol has a molecular weight of 284.97 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol is sourced from PubChem (CID 141473932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).