2-(4-bromo-2-chloroanilino)ethanol

C8H9BrClNO — CID 43168185

IUPAC2-(4-bromo-2-chloroanilino)ethanol
SMILESOCCNc1ccc(Br)cc1Cl
InChIInChI=1S/C8H9BrClNO/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyYKJGBYFZTVPYRW-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-bromo-2-chloroanilino)ethanol

2-(4-bromo-2-chloroanilino)ethanol (PubChem CID 43168185) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)ethanol
PubChem CID43168185
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name2-(4-bromo-2-chloroanilino)ethanol
SMILESOCCNc1ccc(Br)cc1Cl
InChIInChI=1S/C8H9BrClNO/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyYKJGBYFZTVPYRW-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-chloroanilino)propanamide
CID 43347354
2-(2,5-dibromoanilino)ethanol
CID 61467228
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
4-bromo-2-chloro-N-prop-2-ynylaniline
CID 62140498
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507
4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 43347377
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
2-(2,3,4-trichloroanilino)ethanol
CID 154157702
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
4-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451573

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)ethanol?
The IUPAC name of 2-(4-bromo-2-chloroanilino)ethanol (CID 43168185) is 2-(4-bromo-2-chloroanilino)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)ethanol?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)ethanol is OCCNc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)ethanol?
The InChIKey is YKJGBYFZTVPYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,11-12H,3-4H2.
What are the key properties of 2-(4-bromo-2-chloroanilino)ethanol?
2-(4-bromo-2-chloroanilino)ethanol has a molecular weight of 250.52 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloroanilino)ethanol is sourced from PubChem (CID 43168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).