6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene

C16H21Br — CID 63439571

IUPAC6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESBrC(c1ccc2c(c1)CCCC2)C1CCCC1
InChIInChI=1S/C16H21Br/c17-16(13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)11-15/h9-11,13,16H,1-8H2
InChIKeyCIUNKCVUVZFDHL-UHFFFAOYSA-N
MW293.25 g/mol
LogP5.19
Rot. Bonds2

About 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63439571) has the molecular formula C16H21Br and a molecular weight of 293.25 g/mol. Its IUPAC name is 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63439571
Molecular FormulaC16H21Br
Molecular Weight293.25 g/mol
Exact Mass292.08
IUPAC Name6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESBrC(c1ccc2c(c1)CCCC2)C1CCCC1
InChIInChI=1S/C16H21Br/c17-16(13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)11-15/h9-11,13,16H,1-8H2
InChIKeyCIUNKCVUVZFDHL-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.25
LogP ≤ 55.19
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

5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020800
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
CID 114458692
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 61085309
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane
CID 81327783
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910
(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81391581
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63439571) is 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene is BrC(c1ccc2c(c1)CCCC2)C1CCCC1.
What is the InChIKey of 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CIUNKCVUVZFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br/c17-16(13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)11-15/h9-11,13,16H,1-8H2.
What are the key properties of 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 293.25 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63439571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).