4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene

C15H21Br — CID 116540815

IUPAC4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC2(C)CCC(Br)C2)cc1C
InChIInChI=1S/C15H21Br/c1-11-4-5-13(8-12(11)2)9-15(3)7-6-14(16)10-15/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeySJNMIIDYYRLQRE-UHFFFAOYSA-N
MW281.24 g/mol
LogP4.80
Rot. Bonds2

About 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene

4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene (PubChem CID 116540815) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
PubChem CID116540815
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC2(C)CCC(Br)C2)cc1C
InChIInChI=1S/C15H21Br/c1-11-4-5-13(8-12(11)2)9-15(3)7-6-14(16)10-15/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeySJNMIIDYYRLQRE-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 54.80
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

3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539985
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
1-bromo-2-[(3-bromo-1-methylcyclopentyl)methyl]-4-methoxybenzene
CID 116540736
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562344
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
CID 66466946
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79857689

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene (CID 116540815) is 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene is Cc1ccc(CC2(C)CCC(Br)C2)cc1C.
What is the InChIKey of 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene?
The InChIKey is SJNMIIDYYRLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-11-4-5-13(8-12(11)2)9-15(3)7-6-14(16)10-15/h4-5,8,14H,6-7,9-10H2,1-3H3.
What are the key properties of 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene?
4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene has a molecular weight of 281.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 116540815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).