2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline

C14H11Cl4N — CID 43763076

IUPAC2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c1-8(19-12-5-3-2-4-10(12)15)9-6-7-11(16)14(18)13(9)17/h2-8,19H,1H3
InChIKeyOCFDRVHMSIIMCV-UHFFFAOYSA-N
MW335.06 g/mol
LogP6.47
Rot. Bonds3

About 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline

2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline (PubChem CID 43763076) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
PubChem CID43763076
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c1-8(19-12-5-3-2-4-10(12)15)9-6-7-11(16)14(18)13(9)17/h2-8,19H,1H3
InChIKeyOCFDRVHMSIIMCV-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 56.47
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

5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999
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
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
1-(2,3,4-trichlorophenyl)ethylhydrazine
CID 53402187
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81363776
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
3-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43755615
3-bromo-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43762854
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline (CID 43763076) is 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline is CC(Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The InChIKey is OCFDRVHMSIIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c1-8(19-12-5-3-2-4-10(12)15)9-6-7-11(16)14(18)13(9)17/h2-8,19H,1H3.
What are the key properties of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline has a molecular weight of 335.06 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline is sourced from PubChem (CID 43763076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).