2,6-dibromo-N-(2-methylpentyl)aniline

C12H17Br2N — CID 107597227

IUPAC2,6-dibromo-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1c(Br)cccc1Br
InChIInChI=1S/C12H17Br2N/c1-3-5-9(2)8-15-12-10(13)6-4-7-11(12)14/h4,6-7,9,15H,3,5,8H2,1-2H3
InChIKeyMSHZMXGLRCJJPA-UHFFFAOYSA-N
MW335.08 g/mol
LogP5.06
Rot. Bonds5

About 2,6-dibromo-N-(2-methylpentyl)aniline

2,6-dibromo-N-(2-methylpentyl)aniline (PubChem CID 107597227) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2-methylpentyl)aniline
PubChem CID107597227
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name2,6-dibromo-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1c(Br)cccc1Br
InChIInChI=1S/C12H17Br2N/c1-3-5-9(2)8-15-12-10(13)6-4-7-11(12)14/h4,6-7,9,15H,3,5,8H2,1-2H3
InChIKeyMSHZMXGLRCJJPA-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.08
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dibromo-N-(2-methylpentyl)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

2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
3-iodo-N-(2-methylpentyl)aniline
CID 43124492
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 107598486
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837
2,6-dibromo-N-decylaniline
CID 107599083
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-methylpentyl)aniline?
The IUPAC name of 2,6-dibromo-N-(2-methylpentyl)aniline (CID 107597227) is 2,6-dibromo-N-(2-methylpentyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(2-methylpentyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(2-methylpentyl)aniline is CCCC(C)CNc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-(2-methylpentyl)aniline?
The InChIKey is MSHZMXGLRCJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-3-5-9(2)8-15-12-10(13)6-4-7-11(12)14/h4,6-7,9,15H,3,5,8H2,1-2H3.
What are the key properties of 2,6-dibromo-N-(2-methylpentyl)aniline?
2,6-dibromo-N-(2-methylpentyl)aniline has a molecular weight of 335.08 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-methylpentyl)aniline is sourced from PubChem (CID 107597227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).