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

C14H19Br — CID 63471595

IUPAC2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC2CCCC2Br)c1
InChIInChI=1S/C14H19Br/c1-10-6-7-11(2)13(8-10)9-12-4-3-5-14(12)15/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyTYBFOTZHULYOEA-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.41
Rot. Bonds2

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

2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene (PubChem CID 63471595) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
PubChem CID63471595
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC2CCCC2Br)c1
InChIInChI=1S/C14H19Br/c1-10-6-7-11(2)13(8-10)9-12-4-3-5-14(12)15/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyTYBFOTZHULYOEA-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-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034224
4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
CID 63471978
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66361620
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
4-[(2-bromocyclopentyl)methyl]-2-methylthiophene
CID 130558507
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene (CID 63471595) is 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CC2CCCC2Br)c1.
What is the InChIKey of 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene?
The InChIKey is TYBFOTZHULYOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10-6-7-11(2)13(8-10)9-12-4-3-5-14(12)15/h6-8,12,14H,3-5,9H2,1-2H3.
What are the key properties of 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene?
2-[(2-bromocyclopentyl)methyl]-1,4-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 2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 63471595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).