2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline

C12H17Br2N — CID 43126187

IUPAC2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1cc(Br)c(NC(C)C(C)C)c(Br)c1
InChIInChI=1S/C12H17Br2N/c1-7(2)9(4)15-12-10(13)5-8(3)6-11(12)14/h5-7,9,15H,1-4H3
InChIKeyAXMWTIKZMPCPGF-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.98
Rot. Bonds3

About 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline

2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43126187) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43126187
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1cc(Br)c(NC(C)C(C)C)c(Br)c1
InChIInChI=1S/C12H17Br2N/c1-7(2)9(4)15-12-10(13)5-8(3)6-11(12)14/h5-7,9,15H,1-4H3
InChIKeyAXMWTIKZMPCPGF-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline (CID 43126187) is 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline is Cc1cc(Br)c(NC(C)C(C)C)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is AXMWTIKZMPCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-7(2)9(4)15-12-10(13)5-8(3)6-11(12)14/h5-7,9,15H,1-4H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 335.08 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43126187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).