4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene

C14H19Br — CID 63471978

IUPAC4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC2CCCC2Br)cc1C
InChIInChI=1S/C14H19Br/c1-10-6-7-12(8-11(10)2)9-13-4-3-5-14(13)15/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyKFJXGGBBBGXQBE-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.41
Rot. Bonds2

About 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene

4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene (PubChem CID 63471978) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
PubChem CID63471978
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC2CCCC2Br)cc1C
InChIInChI=1S/C14H19Br/c1-10-6-7-12(8-11(10)2)9-13-4-3-5-14(13)15/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyKFJXGGBBBGXQBE-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.41
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-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595
2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 54978274
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
4-[(2-bromocyclopentyl)methyl]-2-methylthiophene
CID 130558507
1-[(2-bromocyclohexyl)methyl]-3-chlorobenzene
CID 63471819
4-(2-bromocyclopentyl)-1,2-dimethylbenzene
CID 63511139
2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
CID 170100233
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
1-bromo-2-[(3,5-difluorophenyl)methyl]cycloheptane
CID 105407761
2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
CID 106778080
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene (CID 63471978) is 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene is Cc1ccc(CC2CCCC2Br)cc1C.
What is the InChIKey of 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene?
The InChIKey is KFJXGGBBBGXQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10-6-7-12(8-11(10)2)9-13-4-3-5-14(13)15/h6-8,13-14H,3-5,9H2,1-2H3.
What are the key properties of 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene?
4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 63471978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).