[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine

C13H19BrN2O — CID 105336009

IUPAC[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H19BrN2O/c1-9(2)4-7-12(16-15)11-6-5-10(14)8-13(11)17-3/h5-6,8,12,16H,1,4,7,15H2,2-3H3
InChIKeyXZHSJPFLXOPCEN-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.32
Rot. Bonds6

About [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine

[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105336009) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105336009
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H19BrN2O/c1-9(2)4-7-12(16-15)11-6-5-10(14)8-13(11)17-3/h5-6,8,12,16H,1,4,7,15H2,2-3H3
InChIKeyXZHSJPFLXOPCEN-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
[1-(4-bromo-2-methoxyphenyl)-2-methylprop-2-enyl]hydrazine
CID 105320210
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105295836

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine (CID 105336009) is [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1ccc(Br)cc1OC.
What is the InChIKey of [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is XZHSJPFLXOPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)4-7-12(16-15)11-6-5-10(14)8-13(11)17-3/h5-6,8,12,16H,1,4,7,15H2,2-3H3.
What are the key properties of [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine?
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 299.21 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105336009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).