[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine

C13H19BrN2O — CID 105224453

IUPAC[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)C1CCC1
InChIInChI=1S/C13H19BrN2O/c1-17-13-6-5-11(14)7-10(13)8-12(16-15)9-3-2-4-9/h5-7,9,12,16H,2-4,8,15H2,1H3
InChIKeyWUZKHBPNJROLJI-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.63
Rot. Bonds5

About [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine

[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine (PubChem CID 105224453) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
PubChem CID105224453
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)C1CCC1
InChIInChI=1S/C13H19BrN2O/c1-17-13-6-5-11(14)7-10(13)8-12(16-15)9-3-2-4-9/h5-7,9,12,16H,2-4,8,15H2,1H3
InChIKeyWUZKHBPNJROLJI-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290129
1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine (CID 105224453) is [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine is COc1ccc(Br)cc1CC(NN)C1CCC1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine?
The InChIKey is WUZKHBPNJROLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-13-6-5-11(14)7-10(13)8-12(16-15)9-3-2-4-9/h5-7,9,12,16H,2-4,8,15H2,1H3.
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine has a molecular weight of 299.21 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine is sourced from PubChem (CID 105224453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).