2,4,6-tribromo-N-(1-cyclopentylethyl)aniline

C13H16Br3N — CID 55200172

IUPAC2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
SMILESCC(Nc1c(Br)cc(Br)cc1Br)C1CCCC1
InChIInChI=1S/C13H16Br3N/c1-8(9-4-2-3-5-9)17-13-11(15)6-10(14)7-12(13)16/h6-9,17H,2-5H2,1H3
InChIKeyJRWLNHJSBCVWQP-UHFFFAOYSA-N
MW425.99 g/mol
LogP5.96
Rot. Bonds3

About 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline

2,4,6-tribromo-N-(1-cyclopentylethyl)aniline (PubChem CID 55200172) has the molecular formula C13H16Br3N and a molecular weight of 425.99 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
PubChem CID55200172
Molecular FormulaC13H16Br3N
Molecular Weight425.99 g/mol
Exact Mass422.88
IUPAC Name2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
SMILESCC(Nc1c(Br)cc(Br)cc1Br)C1CCCC1
InChIInChI=1S/C13H16Br3N/c1-8(9-4-2-3-5-9)17-13-11(15)6-10(14)7-12(13)16/h6-9,17H,2-5H2,1H3
InChIKeyJRWLNHJSBCVWQP-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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Related Compounds

2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55199408
methyl 3,5-dibromo-2-(1-cyclopropylethylamino)benzoate
CID 63451581
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
4-bromo-N-(1-cyclopropylethyl)aniline
CID 43194534
(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81386867

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline (CID 55200172) is 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline is CC(Nc1c(Br)cc(Br)cc1Br)C1CCCC1.
What is the InChIKey of 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline?
The InChIKey is JRWLNHJSBCVWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3N/c1-8(9-4-2-3-5-9)17-13-11(15)6-10(14)7-12(13)16/h6-9,17H,2-5H2,1H3.
What are the key properties of 2,4,6-tribromo-N-(1-cyclopentylethyl)aniline?
2,4,6-tribromo-N-(1-cyclopentylethyl)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-(1-cyclopentylethyl)aniline is sourced from PubChem (CID 55200172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).