2-bromo-N-butan-2-yl-5-chloro-4-methylaniline

C11H15BrClN — CID 104722467

IUPAC2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
SMILESCCC(C)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H15BrClN/c1-4-8(3)14-11-6-10(13)7(2)5-9(11)12/h5-6,8,14H,4H2,1-3H3
InChIKeyZSEVCPPSFRDRQW-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.62
Rot. Bonds3

About 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline

2-bromo-N-butan-2-yl-5-chloro-4-methylaniline (PubChem CID 104722467) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
PubChem CID104722467
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
SMILESCCC(C)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H15BrClN/c1-4-8(3)14-11-6-10(13)7(2)5-9(11)12/h5-6,8,14H,4H2,1-3H3
InChIKeyZSEVCPPSFRDRQW-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 104722479
2-(2-bromo-5-chloro-4-methylanilino)butanenitrile
CID 104723532
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
CID 104724441
methyl 2-(2-bromo-5-chloro-4-methylanilino)butanoate
CID 113445425
2-bromo-N-butan-2-yl-4-methyl-5-nitroaniline
CID 104815090
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
2-bromo-N-butan-2-yl-4,5-dimethoxyaniline
CID 115929935
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
2-(2-bromo-5-chloro-4-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 104723342
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline?
The IUPAC name of 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline (CID 104722467) is 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline.
What is the SMILES notation for 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline?
The canonical SMILES for 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline is CCC(C)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline?
The InChIKey is ZSEVCPPSFRDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-4-8(3)14-11-6-10(13)7(2)5-9(11)12/h5-6,8,14H,4H2,1-3H3.
What are the key properties of 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline?
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline has a molecular weight of 276.61 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-5-chloro-4-methylaniline is sourced from PubChem (CID 104722467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).