[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine

C11H16BrClN2 — CID 107947997

IUPAC[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
SMILESCC(C)CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H16BrClN2/c1-7(2)3-11(15-14)8-4-9(12)6-10(13)5-8/h4-7,11,15H,3,14H2,1-2H3
InChIKeyOVCBIQMEPPWPPD-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.65
Rot. Bonds4

About [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine

[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine (PubChem CID 107947997) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
PubChem CID107947997
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
SMILESCC(C)CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H16BrClN2/c1-7(2)3-11(15-14)8-4-9(12)6-10(13)5-8/h4-7,11,15H,3,14H2,1-2H3
InChIKeyOVCBIQMEPPWPPD-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.65
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-(3-bromo-5-chlorophenyl)-4-methylpentyl]hydrazine
CID 107948109
[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine
CID 105282675
[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
CID 107948361
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
1-(3-bromo-5-chlorophenyl)pent-4-enylhydrazine
CID 107948273
[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107948328
[1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 114019513
[1-(3-bromo-5-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 107948391
[1-(3-bromo-5-chlorophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 114019542
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948316
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine (CID 107947997) is [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine is CC(C)CC(NN)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine?
The InChIKey is OVCBIQMEPPWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-7(2)3-11(15-14)8-4-9(12)6-10(13)5-8/h4-7,11,15H,3,14H2,1-2H3.
What are the key properties of [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine?
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine has a molecular weight of 291.62 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine is sourced from PubChem (CID 107947997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).