2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline

C16H22Br3N — CID 63425295

IUPAC2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCCCC1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C16H22Br3N/c1-16(2,3)11-6-4-5-7-14(11)20-15-12(18)8-10(17)9-13(15)19/h8-9,11,14,20H,4-7H2,1-3H3
InChIKeyRROYXPPDJMFDHA-UHFFFAOYSA-N
MW468.07 g/mol
LogP6.99
Rot. Bonds2

About 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline

2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline (PubChem CID 63425295) has the molecular formula C16H22Br3N and a molecular weight of 468.07 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline
PubChem CID63425295
Molecular FormulaC16H22Br3N
Molecular Weight468.07 g/mol
Exact Mass464.93
IUPAC Name2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCCCC1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C16H22Br3N/c1-16(2,3)11-6-4-5-7-14(11)20-15-12(18)8-10(17)9-13(15)19/h8-9,11,14,20H,4-7H2,1-3H3
InChIKeyRROYXPPDJMFDHA-UHFFFAOYSA-N
XLogP6.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.07
LogP ≤ 56.99
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-(2-tert-butylcyclohexyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline (CID 63425295) is 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline is CC(C)(C)C1CCCCC1Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline?
The InChIKey is RROYXPPDJMFDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br3N/c1-16(2,3)11-6-4-5-7-14(11)20-15-12(18)8-10(17)9-13(15)19/h8-9,11,14,20H,4-7H2,1-3H3.
What are the key properties of 2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline?
2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline has a molecular weight of 468.07 g/mol, XLogP of 6.99, 2 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-(2-tert-butylcyclohexyl)aniline is sourced from PubChem (CID 63425295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).