1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene

C14H21Br — CID 79837730

IUPAC1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)CCBr)cc1
InChIInChI=1S/C14H21Br/c1-11(2)12-5-7-13(8-6-12)14(3,4)9-10-15/h5-8,11H,9-10H2,1-4H3
InChIKeyMLWWNHMQRLAEJV-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene

1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene (PubChem CID 79837730) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
PubChem CID79837730
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)CCBr)cc1
InChIInChI=1S/C14H21Br/c1-11(2)12-5-7-13(8-6-12)14(3,4)9-10-15/h5-8,11H,9-10H2,1-4H3
InChIKeyMLWWNHMQRLAEJV-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene 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

N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
4-(4-bromo-2-methylbutan-2-yl)-1,2-dichlorobenzene
CID 79838104
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
1-[1-bromo-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-4-propan-2-ylbenzene
CID 114772161
1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
CID 170265262
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 71080848
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene (CID 79837730) is 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene is CC(C)c1ccc(C(C)(C)CCBr)cc1.
What is the InChIKey of 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene?
The InChIKey is MLWWNHMQRLAEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-11(2)12-5-7-13(8-6-12)14(3,4)9-10-15/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene?
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene has a molecular weight of 269.23 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene is sourced from PubChem (CID 79837730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).