1-(2,3,4-trichlorophenyl)ethylhydrazine

C8H9Cl3N2 — CID 53402187

IUPAC1-(2,3,4-trichlorophenyl)ethylhydrazine
SMILESCC(NN)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H9Cl3N2/c1-4(13-12)5-2-3-6(9)8(11)7(5)10/h2-4,13H,12H2,1H3
InChIKeyXRSAQIGVSNJCEU-UHFFFAOYSA-N
MW239.53 g/mol
LogP3.17
Rot. Bonds2

About 1-(2,3,4-trichlorophenyl)ethylhydrazine

1-(2,3,4-trichlorophenyl)ethylhydrazine (PubChem CID 53402187) has the molecular formula C8H9Cl3N2 and a molecular weight of 239.53 g/mol. Its IUPAC name is 1-(2,3,4-trichlorophenyl)ethylhydrazine.

Molecular Properties

Compound Name1-(2,3,4-trichlorophenyl)ethylhydrazine
PubChem CID53402187
Molecular FormulaC8H9Cl3N2
Molecular Weight239.53 g/mol
Exact Mass237.98
IUPAC Name1-(2,3,4-trichlorophenyl)ethylhydrazine
SMILESCC(NN)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H9Cl3N2/c1-4(13-12)5-2-3-6(9)8(11)7(5)10/h2-4,13H,12H2,1H3
InChIKeyXRSAQIGVSNJCEU-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-3-amine
CID 43756565
methyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 60781951
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43763076
N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81363776
1-(2-bromo-4-chlorophenyl)ethylhydrazine
CID 107996612
5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999
4-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-1-amine
CID 63452553
ethyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 61498523
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43785087
2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 66252833
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849898

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trichlorophenyl)ethylhydrazine?
The IUPAC name of 1-(2,3,4-trichlorophenyl)ethylhydrazine (CID 53402187) is 1-(2,3,4-trichlorophenyl)ethylhydrazine.
What is the SMILES notation for 1-(2,3,4-trichlorophenyl)ethylhydrazine?
The canonical SMILES for 1-(2,3,4-trichlorophenyl)ethylhydrazine is CC(NN)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3,4-trichlorophenyl)ethylhydrazine?
The InChIKey is XRSAQIGVSNJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3N2/c1-4(13-12)5-2-3-6(9)8(11)7(5)10/h2-4,13H,12H2,1H3.
What are the key properties of 1-(2,3,4-trichlorophenyl)ethylhydrazine?
1-(2,3,4-trichlorophenyl)ethylhydrazine has a molecular weight of 239.53 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trichlorophenyl)ethylhydrazine is sourced from PubChem (CID 53402187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).