2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline

C13H11Cl3N2 — CID 43126484

IUPAC2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H11Cl3N2/c1-8(9-2-4-17-5-3-9)18-13-11(15)6-10(14)7-12(13)16/h2-8,18H,1H3
InChIKeyNWPXHGYIDQRYFF-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.21
Rot. Bonds3

About 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline

2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43126484) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43126484
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H11Cl3N2/c1-8(9-2-4-17-5-3-9)18-13-11(15)6-10(14)7-12(13)16/h2-8,18H,1H3
InChIKeyNWPXHGYIDQRYFF-UHFFFAOYSA-N
XLogP5.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
2,6-dichloro-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 106891428
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol
CID 107678914
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 91589237

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline (CID 43126484) is 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline is CC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is NWPXHGYIDQRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c1-8(9-2-4-17-5-3-9)18-13-11(15)6-10(14)7-12(13)16/h2-8,18H,1H3.
What are the key properties of 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline?
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 301.60 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43126484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).