4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene

C14H19Br — CID 63543771

IUPAC4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)C2CC2C)cc1C
InChIInChI=1S/C14H19Br/c1-9-4-5-12(6-10(9)2)8-14(15)13-7-11(13)3/h4-6,11,13-14H,7-8H2,1-3H3
InChIKeyLNJBZQFVEAJQLS-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.27
Rot. Bonds3

About 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene

4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene (PubChem CID 63543771) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
PubChem CID63543771
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)C2CC2C)cc1C
InChIInChI=1S/C14H19Br/c1-9-4-5-12(6-10(9)2)8-14(15)13-7-11(13)3/h4-6,11,13-14H,7-8H2,1-3H3
InChIKeyLNJBZQFVEAJQLS-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.27
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

4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949
1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene
CID 63542272
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]thiolane 1,1-dioxide
CID 64903969
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159334
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641
4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene
CID 63543426
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115483070

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene (CID 63543771) is 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene is Cc1ccc(CC(Br)C2CC2C)cc1C.
What is the InChIKey of 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is LNJBZQFVEAJQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-9-4-5-12(6-10(9)2)8-14(15)13-7-11(13)3/h4-6,11,13-14H,7-8H2,1-3H3.
What are the key properties of 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 63543771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).