2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene

C13H19Br — CID 63442067

IUPAC2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)C(C)(C)C)c1
InChIInChI=1S/C13H19Br/c1-9-6-7-10(2)11(8-9)12(14)13(3,4)5/h6-8,12H,1-5H3
InChIKeyDXZYPNMGNLSCIV-UHFFFAOYSA-N
MW255.20 g/mol
LogP4.79
Rot. Bonds1

About 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene

2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene (PubChem CID 63442067) has the molecular formula C13H19Br and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
PubChem CID63442067
Molecular FormulaC13H19Br
Molecular Weight255.20 g/mol
Exact Mass254.07
IUPAC Name2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)C(C)(C)C)c1
InChIInChI=1S/C13H19Br/c1-9-6-7-10(2)11(8-9)12(14)13(3,4)5/h6-8,12H,1-5H3
InChIKeyDXZYPNMGNLSCIV-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromo-2,2-dimethylbutyl)-1,4-dimethylbenzene
CID 63442120
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437609
2-[bromo-(2,5-dimethylphenyl)methyl]-3,5-dimethylthiophene
CID 81158563
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
CID 130605234
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
CID 114033427

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene (CID 63442067) is 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C(Br)C(C)(C)C)c1.
What is the InChIKey of 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene?
The InChIKey is DXZYPNMGNLSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br/c1-9-6-7-10(2)11(8-9)12(14)13(3,4)5/h6-8,12H,1-5H3.
What are the key properties of 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene?
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene has a molecular weight of 255.20 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene is sourced from PubChem (CID 63442067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).