2-(2,3,4-trichlorophenyl)ethanamine

C8H8Cl3N — CID 23356568

IUPAC2-(2,3,4-trichlorophenyl)ethanamine
SMILESNCCc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl3N/c9-6-2-1-5(3-4-12)7(10)8(6)11/h1-2H,3-4,12H2
InChIKeyFBJJZLRVGPKSHR-UHFFFAOYSA-N
MW224.52 g/mol
LogP3.15
Rot. Bonds2

About 2-(2,3,4-trichlorophenyl)ethanamine

2-(2,3,4-trichlorophenyl)ethanamine (PubChem CID 23356568) has the molecular formula C8H8Cl3N and a molecular weight of 224.52 g/mol. Its IUPAC name is 2-(2,3,4-trichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4-trichlorophenyl)ethanamine
PubChem CID23356568
Molecular FormulaC8H8Cl3N
Molecular Weight224.52 g/mol
Exact Mass222.97
IUPAC Name2-(2,3,4-trichlorophenyl)ethanamine
SMILESNCCc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl3N/c9-6-2-1-5(3-4-12)7(10)8(6)11/h1-2H,3-4,12H2
InChIKeyFBJJZLRVGPKSHR-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
CID 118840486
2-[3-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
CID 134630524
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
1,2,3-trichloro-4-(2,2-dimethylpropyl)benzene
CID 58062452
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
CID 81047859
(2,3,4-trichlorophenyl)methylurea
CID 90771605
2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 114065045
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichlorophenyl)ethanamine?
The IUPAC name of 2-(2,3,4-trichlorophenyl)ethanamine (CID 23356568) is 2-(2,3,4-trichlorophenyl)ethanamine.
What is the SMILES notation for 2-(2,3,4-trichlorophenyl)ethanamine?
The canonical SMILES for 2-(2,3,4-trichlorophenyl)ethanamine is NCCc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3,4-trichlorophenyl)ethanamine?
The InChIKey is FBJJZLRVGPKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N/c9-6-2-1-5(3-4-12)7(10)8(6)11/h1-2H,3-4,12H2.
What are the key properties of 2-(2,3,4-trichlorophenyl)ethanamine?
2-(2,3,4-trichlorophenyl)ethanamine has a molecular weight of 224.52 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trichlorophenyl)ethanamine is sourced from PubChem (CID 23356568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).