2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline

C14H10Cl4FN — CID 43773688

IUPAC2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C14H10Cl4FN/c1-7(10-3-2-9(19)6-11(10)16)20-14-12(17)4-8(15)5-13(14)18/h2-7,20H,1H3
InChIKeyNCTUPYIUFLKEMF-UHFFFAOYSA-N
MW353.05 g/mol
LogP6.61
Rot. Bonds3

About 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline

2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline (PubChem CID 43773688) has the molecular formula C14H10Cl4FN and a molecular weight of 353.05 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
PubChem CID43773688
Molecular FormulaC14H10Cl4FN
Molecular Weight353.05 g/mol
Exact Mass350.96
IUPAC Name2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C14H10Cl4FN/c1-7(10-3-2-9(19)6-11(10)16)20-14-12(17)4-8(15)5-13(14)18/h2-7,20H,1H3
InChIKeyNCTUPYIUFLKEMF-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.05
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol
CID 83077307
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768876
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
2-N-[1-(2,4-dichlorophenyl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62533657
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline (CID 43773688) is 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline is CC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
The InChIKey is NCTUPYIUFLKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4FN/c1-7(10-3-2-9(19)6-11(10)16)20-14-12(17)4-8(15)5-13(14)18/h2-7,20H,1H3.
What are the key properties of 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline has a molecular weight of 353.05 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43773688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).