2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline

C13H16Br3N — CID 64501872

IUPAC2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline
SMILESCCC1CCC(Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C13H16Br3N/c1-2-8-3-4-10(5-8)17-13-11(15)6-9(14)7-12(13)16/h6-8,10,17H,2-5H2,1H3
InChIKeyHKJUBOMYXHFZPG-UHFFFAOYSA-N
MW425.99 g/mol
LogP5.96
Rot. Bonds3

About 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline

2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline (PubChem CID 64501872) has the molecular formula C13H16Br3N and a molecular weight of 425.99 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline
PubChem CID64501872
Molecular FormulaC13H16Br3N
Molecular Weight425.99 g/mol
Exact Mass422.88
IUPAC Name2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline
SMILESCCC1CCC(Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C13H16Br3N/c1-2-8-3-4-10(5-8)17-13-11(15)6-9(14)7-12(13)16/h6-8,10,17H,2-5H2,1H3
InChIKeyHKJUBOMYXHFZPG-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline (CID 64501872) is 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline is CCC1CCC(Nc2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline?
The InChIKey is HKJUBOMYXHFZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3N/c1-2-8-3-4-10(5-8)17-13-11(15)6-9(14)7-12(13)16/h6-8,10,17H,2-5H2,1H3.
What are the key properties of 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline?
2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline has a molecular weight of 425.99 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline is sourced from PubChem (CID 64501872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).