1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene

C16H23Br — CID 107183698

IUPAC1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
SMILESCc1ccccc1CC(Br)C1CCCC1(C)C
InChIInChI=1S/C16H23Br/c1-12-7-4-5-8-13(12)11-15(17)14-9-6-10-16(14,2)3/h4-5,7-8,14-15H,6,9-11H2,1-3H3
InChIKeyFTYSHJFHKNWZRO-UHFFFAOYSA-N
MW295.26 g/mol
LogP5.13
Rot. Bonds3

About 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene

1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene (PubChem CID 107183698) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
PubChem CID107183698
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
SMILESCc1ccccc1CC(Br)C1CCCC1(C)C
InChIInChI=1S/C16H23Br/c1-12-7-4-5-8-13(12)11-15(17)14-9-6-10-16(14,2)3/h4-5,7-8,14-15H,6,9-11H2,1-3H3
InChIKeyFTYSHJFHKNWZRO-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 55.13
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

N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-2-fluorobenzene
CID 107003139
4-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183640
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
CID 107182298
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
[1-(2,2-dimethylcyclopentyl)-2-naphthalen-1-ylethyl]hydrazine
CID 107193580
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 79828839
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 115929724
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
CID 107186199

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene?
The IUPAC name of 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene (CID 107183698) is 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene.
What is the SMILES notation for 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene?
The canonical SMILES for 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene is Cc1ccccc1CC(Br)C1CCCC1(C)C.
What is the InChIKey of 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene?
The InChIKey is FTYSHJFHKNWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-12-7-4-5-8-13(12)11-15(17)14-9-6-10-16(14,2)3/h4-5,7-8,14-15H,6,9-11H2,1-3H3.
What are the key properties of 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene?
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene has a molecular weight of 295.26 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene is sourced from PubChem (CID 107183698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).