2,4,6-tribromo-N-pentan-2-ylaniline

C11H14Br3N — CID 43126298

IUPAC2,4,6-tribromo-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H14Br3N/c1-3-4-7(2)15-11-9(13)5-8(12)6-10(11)14/h5-7,15H,3-4H2,1-2H3
InChIKeyOEEJSXTTWZVALP-UHFFFAOYSA-N
MW399.95 g/mol
LogP5.57
Rot. Bonds4

About 2,4,6-tribromo-N-pentan-2-ylaniline

2,4,6-tribromo-N-pentan-2-ylaniline (PubChem CID 43126298) has the molecular formula C11H14Br3N and a molecular weight of 399.95 g/mol. Its IUPAC name is 2,4,6-tribromo-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-pentan-2-ylaniline
PubChem CID43126298
Molecular FormulaC11H14Br3N
Molecular Weight399.95 g/mol
Exact Mass396.87
IUPAC Name2,4,6-tribromo-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H14Br3N/c1-3-4-7(2)15-11-9(13)5-8(12)6-10(11)14/h5-7,15H,3-4H2,1-2H3
InChIKeyOEEJSXTTWZVALP-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.95
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4,6-tribromoanilino)butanenitrile
CID 60913132
4-[2-(2,4,6-tribromoanilino)propyl]phenol
CID 115494008
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
4-bromo-2,3-dichloro-N-pentan-2-ylaniline
CID 107787687
2-(2,4,6-tribromoanilino)butanoic acid
CID 64668151
2,6-dichloro-N-pentan-2-ylaniline
CID 65469888
methyl 3,5-dibromo-2-(heptan-4-ylamino)benzoate
CID 63451582
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
N-methyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126367

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-pentan-2-ylaniline?
The IUPAC name of 2,4,6-tribromo-N-pentan-2-ylaniline (CID 43126298) is 2,4,6-tribromo-N-pentan-2-ylaniline.
What is the SMILES notation for 2,4,6-tribromo-N-pentan-2-ylaniline?
The canonical SMILES for 2,4,6-tribromo-N-pentan-2-ylaniline is CCCC(C)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-pentan-2-ylaniline?
The InChIKey is OEEJSXTTWZVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br3N/c1-3-4-7(2)15-11-9(13)5-8(12)6-10(11)14/h5-7,15H,3-4H2,1-2H3.
What are the key properties of 2,4,6-tribromo-N-pentan-2-ylaniline?
2,4,6-tribromo-N-pentan-2-ylaniline has a molecular weight of 399.95 g/mol, XLogP of 5.57, 4 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-pentan-2-ylaniline is sourced from PubChem (CID 43126298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).