2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline

C13H12Cl2N2 — CID 43192035

IUPAC2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H12Cl2N2/c1-9(10-4-6-16-7-5-10)17-13-3-2-11(14)8-12(13)15/h2-9,17H,1H3
InChIKeyYBTXPQLNXNOUSL-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.56
Rot. Bonds3

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

2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43192035) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43192035
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H12Cl2N2/c1-9(10-4-6-16-7-5-10)17-13-3-2-11(14)8-12(13)15/h2-9,17H,1H3
InChIKeyYBTXPQLNXNOUSL-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
5-chloro-2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 62494698
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline (CID 43192035) is 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline is CC(Nc1ccc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is YBTXPQLNXNOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-9(10-4-6-16-7-5-10)17-13-3-2-11(14)8-12(13)15/h2-9,17H,1H3.
What are the key properties of 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline?
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 267.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43192035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).