2-bromo-3-chloro-N-propan-2-ylaniline

C9H11BrClN — CID 103478632

IUPAC2-bromo-3-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H11BrClN/c1-6(2)12-8-5-3-4-7(11)9(8)10/h3-6,12H,1-2H3
InChIKeyGHRLUSJMSGIMCZ-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.92
Rot. Bonds2

About 2-bromo-3-chloro-N-propan-2-ylaniline

2-bromo-3-chloro-N-propan-2-ylaniline (PubChem CID 103478632) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-propan-2-ylaniline
PubChem CID103478632
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-bromo-3-chloro-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H11BrClN/c1-6(2)12-8-5-3-4-7(11)9(8)10/h3-6,12H,1-2H3
InChIKeyGHRLUSJMSGIMCZ-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

2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
CID 103477842
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
3-(2-bromo-3-chloroanilino)butanenitrile
CID 103478968
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
CID 103478414
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-propan-2-ylaniline?
The IUPAC name of 2-bromo-3-chloro-N-propan-2-ylaniline (CID 103478632) is 2-bromo-3-chloro-N-propan-2-ylaniline.
What is the SMILES notation for 2-bromo-3-chloro-N-propan-2-ylaniline?
The canonical SMILES for 2-bromo-3-chloro-N-propan-2-ylaniline is CC(C)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-propan-2-ylaniline?
The InChIKey is GHRLUSJMSGIMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6(2)12-8-5-3-4-7(11)9(8)10/h3-6,12H,1-2H3.
What are the key properties of 2-bromo-3-chloro-N-propan-2-ylaniline?
2-bromo-3-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-3-chloro-N-propan-2-ylaniline is sourced from PubChem (CID 103478632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).