2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline

C12H17Br2N — CID 63421879

IUPAC2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
SMILESCc1cc(Br)c(NCC(C)(C)C)c(Br)c1
InChIInChI=1S/C12H17Br2N/c1-8-5-9(13)11(10(14)6-8)15-7-12(2,3)4/h5-6,15H,7H2,1-4H3
InChIKeyMQLKBIXDLAOSRT-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.98
Rot. Bonds2

About 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline

2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline (PubChem CID 63421879) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
PubChem CID63421879
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
SMILESCc1cc(Br)c(NCC(C)(C)C)c(Br)c1
InChIInChI=1S/C12H17Br2N/c1-8-5-9(13)11(10(14)6-8)15-7-12(2,3)4/h5-6,15H,7H2,1-4H3
InChIKeyMQLKBIXDLAOSRT-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

3-[(2-bromo-4,6-dimethylanilino)methyl]pentan-3-ol
CID 114493437
2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
CID 60922012
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2,6-dibromo-N-but-3-ynyl-4-methylaniline
CID 63655061
5-(2,6-dibromo-4-methylanilino)pentan-1-ol
CID 62226962
2,6-dibromo-N-(2,2-diethoxyethyl)-4-methylaniline
CID 81093242
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
2,6-dibromo-4-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087335
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409152

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline (CID 63421879) is 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline is Cc1cc(Br)c(NCC(C)(C)C)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline?
The InChIKey is MQLKBIXDLAOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-8-5-9(13)11(10(14)6-8)15-7-12(2,3)4/h5-6,15H,7H2,1-4H3.
What are the key properties of 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline?
2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline has a molecular weight of 335.08 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline is sourced from PubChem (CID 63421879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).