4-bromo-N-(2-methylbutyl)aniline

C11H16BrN — CID 43201294

IUPAC4-bromo-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyMCCJNGJXESRWHY-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.91
Rot. Bonds4

About 4-bromo-N-(2-methylbutyl)aniline

4-bromo-N-(2-methylbutyl)aniline (PubChem CID 43201294) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-bromo-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-methylbutyl)aniline
PubChem CID43201294
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-bromo-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyMCCJNGJXESRWHY-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2-methyloctyl)aniline
CID 135385362
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
CID 93225665
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
2-[4-(2-methylbutylamino)phenyl]ethanol
CID 61238762
4-(2-chloroethyl)-N-(2-methylbutyl)aniline
CID 65024050
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylbutyl)aniline?
The IUPAC name of 4-bromo-N-(2-methylbutyl)aniline (CID 43201294) is 4-bromo-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-bromo-N-(2-methylbutyl)aniline is CCC(C)CNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methylbutyl)aniline?
The InChIKey is MCCJNGJXESRWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 4-bromo-N-(2-methylbutyl)aniline?
4-bromo-N-(2-methylbutyl)aniline has a molecular weight of 242.16 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43201294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).