2,4-dibromo-N-(2-methylbutyl)aniline

C11H15Br2N — CID 43683023

IUPAC2,4-dibromo-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2N/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyAIQFLXWFCXCXJS-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.67
Rot. Bonds4

About 2,4-dibromo-N-(2-methylbutyl)aniline

2,4-dibromo-N-(2-methylbutyl)aniline (PubChem CID 43683023) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methylbutyl)aniline
PubChem CID43683023
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name2,4-dibromo-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2N/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyAIQFLXWFCXCXJS-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-dibromo-N-(2-methylbutyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
2-(2,4-dibromoanilino)acetonitrile
CID 61473879
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
3-[(2,4-dibromoanilino)methyl]pentan-3-ol
CID 114492916
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methylbutyl)aniline?
The IUPAC name of 2,4-dibromo-N-(2-methylbutyl)aniline (CID 43683023) is 2,4-dibromo-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(2-methylbutyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(2-methylbutyl)aniline is CCC(C)CNc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methylbutyl)aniline?
The InChIKey is AIQFLXWFCXCXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(2-methylbutyl)aniline?
2,4-dibromo-N-(2-methylbutyl)aniline has a molecular weight of 321.06 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43683023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).