6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene

C15H21Br — CID 63439172

IUPAC6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)C(Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21Br/c1-15(2,3)14(16)13-9-8-11-6-4-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyREQOERNXQFLUPZ-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.05
Rot. Bonds1

About 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene

6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 63439172) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID63439172
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)C(Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21Br/c1-15(2,3)14(16)13-9-8-11-6-4-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyREQOERNXQFLUPZ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.05
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-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106828477
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 107964594
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene
CID 114876125
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114194480

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene (CID 63439172) is 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene is CC(C)(C)C(Br)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is REQOERNXQFLUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-15(2,3)14(16)13-9-8-11-6-4-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 281.24 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63439172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).