2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene

C19H23Br — CID 107183620

IUPAC2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
SMILESCC1(C)CCCC1C(Br)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H23Br/c1-19(2)11-5-8-17(19)18(20)13-14-9-10-15-6-3-4-7-16(15)12-14/h3-4,6-7,9-10,12,17-18H,5,8,11,13H2,1-2H3
InChIKeyZJHFGDPAMVTZCT-UHFFFAOYSA-N
MW331.30 g/mol
LogP5.97
Rot. Bonds3

About 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene

2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene (PubChem CID 107183620) has the molecular formula C19H23Br and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
PubChem CID107183620
Molecular FormulaC19H23Br
Molecular Weight331.30 g/mol
Exact Mass330.10
IUPAC Name2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
SMILESCC1(C)CCCC1C(Br)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H23Br/c1-19(2)11-5-8-17(19)18(20)13-14-9-10-15-6-3-4-7-16(15)12-14/h3-4,6-7,9-10,12,17-18H,5,8,11,13H2,1-2H3
InChIKeyZJHFGDPAMVTZCT-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.30
LogP ≤ 55.97
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

4-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183640
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
CID 107182298
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
[1-(2,2-dimethylcyclopentyl)-2-naphthalen-1-ylethyl]hydrazine
CID 107193580
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene?
The IUPAC name of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene (CID 107183620) is 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene.
What is the SMILES notation for 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene?
The canonical SMILES for 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene is CC1(C)CCCC1C(Br)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene?
The InChIKey is ZJHFGDPAMVTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Br/c1-19(2)11-5-8-17(19)18(20)13-14-9-10-15-6-3-4-7-16(15)12-14/h3-4,6-7,9-10,12,17-18H,5,8,11,13H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene?
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene has a molecular weight of 331.30 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene is sourced from PubChem (CID 107183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).