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

C9H11BrClN — CID 58692387

IUPAC2-bromo-4-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3
InChIKeyXEZWUVZFCODHMM-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.92
Rot. Bonds2

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

2-bromo-4-chloro-N-propan-2-ylaniline (PubChem CID 58692387) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-propan-2-ylaniline
PubChem CID58692387
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-bromo-4-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3
InChIKeyXEZWUVZFCODHMM-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

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CID 81263648
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2-bromo-4-chloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 81264080
3-[1-(2-bromo-4-chloroanilino)ethyl]phenol
CID 81263630
4-[2-(2-bromo-4-chloroanilino)propyl]phenol
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2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
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CID 81263405
2-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
4-[3-(2-bromo-4-chloroanilino)butyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-propan-2-ylaniline?
The IUPAC name of 2-bromo-4-chloro-N-propan-2-ylaniline (CID 58692387) is 2-bromo-4-chloro-N-propan-2-ylaniline.
What is the SMILES notation for 2-bromo-4-chloro-N-propan-2-ylaniline?
The canonical SMILES for 2-bromo-4-chloro-N-propan-2-ylaniline is CC(C)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-propan-2-ylaniline?
The InChIKey is XEZWUVZFCODHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3.
What are the key properties of 2-bromo-4-chloro-N-propan-2-ylaniline?
2-bromo-4-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 2-bromo-4-chloro-N-propan-2-ylaniline is sourced from PubChem (CID 58692387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).