2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

C13H11Cl2FN2 — CID 83118233

IUPAC2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H11Cl2FN2/c1-8(12-5-3-10(16)7-17-12)18-13-4-2-9(14)6-11(13)15/h2-8,18H,1H3
InChIKeyHYCXRRGNJVNIBI-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.70
Rot. Bonds3

About 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline

2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 83118233) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID83118233
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H11Cl2FN2/c1-8(12-5-3-10(16)7-17-12)18-13-4-2-9(14)6-11(13)15/h2-8,18H,1H3
InChIKeyHYCXRRGNJVNIBI-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
CID 83118093
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(trifluoromethyl)aniline
CID 83118812
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 107787554
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
CID 83117200
4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
CID 83117435
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 83118233) is 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline is CC(Nc1ccc(Cl)cc1Cl)c1ccc(F)cn1.
What is the InChIKey of 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is HYCXRRGNJVNIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-8(12-5-3-10(16)7-17-12)18-13-4-2-9(14)6-11(13)15/h2-8,18H,1H3.
What are the key properties of 2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline?
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 285.15 g/mol, XLogP of 4.70, 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-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 83118233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).