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

C12H18BrN — CID 43111742

IUPAC2-bromo-4-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(C)cc1Br
InChIInChI=1S/C12H18BrN/c1-4-9(2)8-14-12-6-5-10(3)7-11(12)13/h5-7,9,14H,4,8H2,1-3H3
InChIKeyXRJFGQWRLSXBGC-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.22
Rot. Bonds4

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

2-bromo-4-methyl-N-(2-methylbutyl)aniline (PubChem CID 43111742) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(2-methylbutyl)aniline
PubChem CID43111742
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-bromo-4-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(C)cc1Br
InChIInChI=1S/C12H18BrN/c1-4-9(2)8-14-12-6-5-10(3)7-11(12)13/h5-7,9,14H,4,8H2,1-3H3
InChIKeyXRJFGQWRLSXBGC-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
[(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]azanium
CID 7452472
methyl 5-methyl-2-(2-methylbutylamino)benzoate
CID 43679143
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
2-amino-3-(2-bromo-4-methylanilino)propanoic acid
CID 103231660
1-(2-bromo-4-methylanilino)-3-(dimethylamino)propan-2-ol
CID 60897447
2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43099892
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
N-benzyl-2-bromo-4-methylaniline
CID 11242845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-bromo-4-methyl-N-(2-methylbutyl)aniline (CID 43111742) is 2-bromo-4-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-bromo-4-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-bromo-4-methyl-N-(2-methylbutyl)aniline is CCC(C)CNc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-N-(2-methylbutyl)aniline?
The InChIKey is XRJFGQWRLSXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-9(2)8-14-12-6-5-10(3)7-11(12)13/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 2-bromo-4-methyl-N-(2-methylbutyl)aniline?
2-bromo-4-methyl-N-(2-methylbutyl)aniline has a molecular weight of 256.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43111742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).