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

C19H27Br — CID 114458692

IUPAC6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrC(CC1CCCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H27Br/c20-19(13-15-7-3-1-2-4-8-15)18-12-11-16-9-5-6-10-17(16)14-18/h11-12,14-15,19H,1-10,13H2
InChIKeyAKFAXORHKONOOT-UHFFFAOYSA-N
MW335.33 g/mol
LogP6.36
Rot. Bonds3

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

6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 114458692) has the molecular formula C19H27Br and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID114458692
Molecular FormulaC19H27Br
Molecular Weight335.33 g/mol
Exact Mass334.13
IUPAC Name6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrC(CC1CCCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H27Br/c20-19(13-15-7-3-1-2-4-8-15)18-12-11-16-9-5-6-10-17(16)14-18/h11-12,14-15,19H,1-10,13H2
InChIKeyAKFAXORHKONOOT-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.33
LogP ≤ 56.36
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-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane
CID 65157674
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
CID 61098748
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
5-(1-bromo-2-cyclohexylethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500189
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene (CID 114458692) is 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene is BrC(CC1CCCCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AKFAXORHKONOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Br/c20-19(13-15-7-3-1-2-4-8-15)18-12-11-16-9-5-6-10-17(16)14-18/h11-12,14-15,19H,1-10,13H2.
What are the key properties of 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene?
6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 335.33 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 114458692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).