[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine

C12H16BrClN2 — CID 107997064

IUPAC[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
SMILESNNC(CC1CCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2/c13-11-7-9(14)4-5-10(11)12(16-15)6-8-2-1-3-8/h4-5,7-8,12,16H,1-3,6,15H2
InChIKeyLZBVBRYKPJTUAN-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.80
Rot. Bonds4

About [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine

[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine (PubChem CID 107997064) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
PubChem CID107997064
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
SMILESNNC(CC1CCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2/c13-11-7-9(14)4-5-10(11)12(16-15)6-8-2-1-3-8/h4-5,7-8,12,16H,1-3,6,15H2
InChIKeyLZBVBRYKPJTUAN-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107996948
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
CID 107541167
[1-(2-bromo-4-chlorophenyl)-2-phenylethyl]hydrazine
CID 107996633
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine (CID 107997064) is [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine is NNC(CC1CCC1)c1ccc(Cl)cc1Br.
What is the InChIKey of [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine?
The InChIKey is LZBVBRYKPJTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-11-7-9(14)4-5-10(11)12(16-15)6-8-2-1-3-8/h4-5,7-8,12,16H,1-3,6,15H2.
What are the key properties of [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine?
[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine has a molecular weight of 303.63 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine is sourced from PubChem (CID 107997064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).