2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline

C13H16Br2ClN — CID 114208972

IUPAC2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
SMILESCCC1CCCC1Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C13H16Br2ClN/c1-2-8-4-3-5-12(8)17-13-10(14)6-9(16)7-11(13)15/h6-8,12,17H,2-5H2,1H3
InChIKeyXSNNFLAXWULQBT-UHFFFAOYSA-N
MW381.54 g/mol
LogP5.86
Rot. Bonds3

About 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline

2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline (PubChem CID 114208972) has the molecular formula C13H16Br2ClN and a molecular weight of 381.54 g/mol. Its IUPAC name is 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
PubChem CID114208972
Molecular FormulaC13H16Br2ClN
Molecular Weight381.54 g/mol
Exact Mass378.93
IUPAC Name2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
SMILESCCC1CCCC1Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C13H16Br2ClN/c1-2-8-4-3-5-12(8)17-13-10(14)6-9(16)7-11(13)15/h6-8,12,17H,2-5H2,1H3
InChIKeyXSNNFLAXWULQBT-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline?
The IUPAC name of 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline (CID 114208972) is 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline.
What is the SMILES notation for 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline?
The canonical SMILES for 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline is CCC1CCCC1Nc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline?
The InChIKey is XSNNFLAXWULQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClN/c1-2-8-4-3-5-12(8)17-13-10(14)6-9(16)7-11(13)15/h6-8,12,17H,2-5H2,1H3.
What are the key properties of 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline?
2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline has a molecular weight of 381.54 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline is sourced from PubChem (CID 114208972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).