4-bromo-3-chloro-N-(2-methylpropyl)aniline

C10H13BrClN — CID 83326794

IUPAC4-bromo-3-chloro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClN/c1-7(2)6-13-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyXDWBMLFVIWMZSX-UHFFFAOYSA-N
MW262.58 g/mol
LogP4.17
Rot. Bonds3

About 4-bromo-3-chloro-N-(2-methylpropyl)aniline

4-bromo-3-chloro-N-(2-methylpropyl)aniline (PubChem CID 83326794) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methylpropyl)aniline
PubChem CID83326794
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name4-bromo-3-chloro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClN/c1-7(2)6-13-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyXDWBMLFVIWMZSX-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-(2-methylpropylamino)phenol
CID 107678389
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
CID 107619934
2-chloro-4-(2-methylpropylamino)benzenecarbothioamide
CID 62948609
4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
CID 107619790
tert-butyl N-[2-[(4-bromo-3-chloroanilino)methyl]-3-methylbutyl]carbamate
CID 107619297
4-bromo-3-chloro-N-(2-methoxyethyl)aniline
CID 107619929
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
4-bromo-3-chloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103823368
4-bromo-3-chloro-N-(3-methyl-1-phenylbutyl)aniline
CID 107618717
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methylpropyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(2-methylpropyl)aniline (CID 83326794) is 4-bromo-3-chloro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methylpropyl)aniline is CC(C)CNc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methylpropyl)aniline?
The InChIKey is XDWBMLFVIWMZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-7(2)6-13-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-(2-methylpropyl)aniline?
4-bromo-3-chloro-N-(2-methylpropyl)aniline has a molecular weight of 262.58 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 83326794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).