4-bromo-2-chloro-N-propan-2-ylaniline

C9H11BrClN — CID 43236856

IUPAC4-bromo-2-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChIKeyMMEBZTPZVFYIEJ-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-2-chloro-N-propan-2-ylaniline

4-bromo-2-chloro-N-propan-2-ylaniline (PubChem CID 43236856) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-propan-2-ylaniline
PubChem CID43236856
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name4-bromo-2-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChIKeyMMEBZTPZVFYIEJ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
CID 43168155
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
3-(4-bromo-2-chloroanilino)-2-methylbutanoic acid
CID 79392052
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
2-[1-(4-bromo-2-chloroanilino)ethyl]benzene-1,3-diol
CID 107710545
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
CID 55200364
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
4-tert-butyl-2-chloro-N-propan-2-ylaniline
CID 135235361
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-propan-2-ylaniline?
The IUPAC name of 4-bromo-2-chloro-N-propan-2-ylaniline (CID 43236856) is 4-bromo-2-chloro-N-propan-2-ylaniline.
What is the SMILES notation for 4-bromo-2-chloro-N-propan-2-ylaniline?
The canonical SMILES for 4-bromo-2-chloro-N-propan-2-ylaniline is CC(C)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-propan-2-ylaniline?
The InChIKey is MMEBZTPZVFYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-propan-2-ylaniline?
4-bromo-2-chloro-N-propan-2-ylaniline has a molecular weight of 248.55 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-propan-2-ylaniline is sourced from PubChem (CID 43236856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).