2-(2,3,4-trichloroanilino)ethanol

C8H8Cl3NO — CID 154157702

IUPAC2-(2,3,4-trichloroanilino)ethanol
SMILESOCCNc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl3NO/c9-5-1-2-6(12-3-4-13)8(11)7(5)10/h1-2,12-13H,3-4H2
InChIKeyKJUQUUDQRUTDHR-UHFFFAOYSA-N
MW240.52 g/mol
LogP3.05
Rot. Bonds3

About 2-(2,3,4-trichloroanilino)ethanol

2-(2,3,4-trichloroanilino)ethanol (PubChem CID 154157702) has the molecular formula C8H8Cl3NO and a molecular weight of 240.52 g/mol. Its IUPAC name is 2-(2,3,4-trichloroanilino)ethanol.

Molecular Properties

Compound Name2-(2,3,4-trichloroanilino)ethanol
PubChem CID154157702
Molecular FormulaC8H8Cl3NO
Molecular Weight240.52 g/mol
Exact Mass238.97
IUPAC Name2-(2,3,4-trichloroanilino)ethanol
SMILESOCCNc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl3NO/c9-5-1-2-6(12-3-4-13)8(11)7(5)10/h1-2,12-13H,3-4H2
InChIKeyKJUQUUDQRUTDHR-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol
CID 173318806
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
2-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]ethanol
CID 110507501
2-(2,3-dichlorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11625506
2-[4-amino-2-(4-chlorophenyl)anilino]ethanol
CID 18371506
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
3-(2,3-dichloroanilino)propanamide
CID 43152512
3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol
CID 130671051

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichloroanilino)ethanol?
The IUPAC name of 2-(2,3,4-trichloroanilino)ethanol (CID 154157702) is 2-(2,3,4-trichloroanilino)ethanol.
What is the SMILES notation for 2-(2,3,4-trichloroanilino)ethanol?
The canonical SMILES for 2-(2,3,4-trichloroanilino)ethanol is OCCNc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3,4-trichloroanilino)ethanol?
The InChIKey is KJUQUUDQRUTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO/c9-5-1-2-6(12-3-4-13)8(11)7(5)10/h1-2,12-13H,3-4H2.
What are the key properties of 2-(2,3,4-trichloroanilino)ethanol?
2-(2,3,4-trichloroanilino)ethanol has a molecular weight of 240.52 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trichloroanilino)ethanol is sourced from PubChem (CID 154157702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).