2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline

C13H11Cl2FN2 — CID 83077807

IUPAC2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
SMILESFc1cc(Cl)c(NCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN2/c14-11-7-10(16)8-12(15)13(11)18-6-3-9-1-4-17-5-2-9/h1-2,4-5,7-8,18H,3,6H2
InChIKeyJNPRMOGOFLADHD-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.18
Rot. Bonds4

About 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline

2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 83077807) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
PubChem CID83077807
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
SMILESFc1cc(Cl)c(NCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN2/c14-11-7-10(16)8-12(15)13(11)18-6-3-9-1-4-17-5-2-9/h1-2,4-5,7-8,18H,3,6H2
InChIKeyJNPRMOGOFLADHD-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 62531809
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
CID 107606595
3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 60864895
2,6-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
CID 83078641
3-(pyridin-4-ylamino)-4-(2-pyridin-4-ylethylamino)cyclobut-3-ene-1,2-dione
CID 87660171
3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
CID 116699570
N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
CID 167960431

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline (CID 83077807) is 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline is Fc1cc(Cl)c(NCCc2ccncc2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is JNPRMOGOFLADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c14-11-7-10(16)8-12(15)13(11)18-6-3-9-1-4-17-5-2-9/h1-2,4-5,7-8,18H,3,6H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 285.15 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 83077807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).