5-bromo-N-tert-butyl-2-propan-2-ylaniline

C13H20BrN — CID 135318709

IUPAC5-bromo-N-tert-butyl-2-propan-2-ylaniline
SMILESCC(C)c1ccc(Br)cc1NC(C)(C)C
InChIInChI=1S/C13H20BrN/c1-9(2)11-7-6-10(14)8-12(11)15-13(3,4)5/h6-9,15H,1-5H3
InChIKeyXEKKLPKXJOFUTG-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.78
Rot. Bonds2

About 5-bromo-N-tert-butyl-2-propan-2-ylaniline

5-bromo-N-tert-butyl-2-propan-2-ylaniline (PubChem CID 135318709) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-propan-2-ylaniline.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-propan-2-ylaniline
PubChem CID135318709
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name5-bromo-N-tert-butyl-2-propan-2-ylaniline
SMILESCC(C)c1ccc(Br)cc1NC(C)(C)C
InChIInChI=1S/C13H20BrN/c1-9(2)11-7-6-10(14)8-12(11)15-13(3,4)5/h6-9,15H,1-5H3
InChIKeyXEKKLPKXJOFUTG-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 84809083
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine
CID 163411661
[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium
CID 163411660
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720321
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
CID 84804882
4-bromo-2-hydroperoxy-1-propan-2-ylbenzene
CID 19915594
N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine
CID 82780847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-propan-2-ylaniline?
The IUPAC name of 5-bromo-N-tert-butyl-2-propan-2-ylaniline (CID 135318709) is 5-bromo-N-tert-butyl-2-propan-2-ylaniline.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-propan-2-ylaniline?
The canonical SMILES for 5-bromo-N-tert-butyl-2-propan-2-ylaniline is CC(C)c1ccc(Br)cc1NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-2-propan-2-ylaniline?
The InChIKey is XEKKLPKXJOFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-9(2)11-7-6-10(14)8-12(11)15-13(3,4)5/h6-9,15H,1-5H3.
What are the key properties of 5-bromo-N-tert-butyl-2-propan-2-ylaniline?
5-bromo-N-tert-butyl-2-propan-2-ylaniline has a molecular weight of 270.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-propan-2-ylaniline is sourced from PubChem (CID 135318709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).