1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene

C15H21Br — CID 107182184

IUPAC1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)C2CCCC2C)c(C)c1
InChIInChI=1S/C15H21Br/c1-10-7-8-14(12(3)9-10)15(16)13-6-4-5-11(13)2/h7-9,11,13,15H,4-6H2,1-3H3
InChIKeyZFBRCOBBSZZPQL-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.18
Rot. Bonds2

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

1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene (PubChem CID 107182184) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene
PubChem CID107182184
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)C2CCCC2C)c(C)c1
InChIInChI=1S/C15H21Br/c1-10-7-8-14(12(3)9-10)15(16)13-6-4-5-11(13)2/h7-9,11,13,15H,4-6H2,1-3H3
InChIKeyZFBRCOBBSZZPQL-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.18
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

1-[bromo-(2-methylcyclopentyl)methyl]-2,5-difluoro-4-methylbenzene
CID 107182501
2-[bromo-(2,4-dimethylphenyl)methyl]oxolane
CID 61097286
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
CID 107182321
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
CID 63438485
4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
CID 107182232
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63468718
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107179634
(2,4-dimethylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762886

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene (CID 107182184) is 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene is Cc1ccc(C(Br)C2CCCC2C)c(C)c1.
What is the InChIKey of 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene?
The InChIKey is ZFBRCOBBSZZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-10-7-8-14(12(3)9-10)15(16)13-6-4-5-11(13)2/h7-9,11,13,15H,4-6H2,1-3H3.
What are the key properties of 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene?
1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene has a molecular weight of 281.24 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 107182184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).