[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine

C12H19BrN2O2 — CID 105342619

IUPAC[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C12H19BrN2O2/c1-16-7-3-4-11(15-14)10-6-5-9(13)8-12(10)17-2/h5-6,8,11,15H,3-4,7,14H2,1-2H3
InChIKeyHRHPTOORVJOFHU-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.39
Rot. Bonds7

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

[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine (PubChem CID 105342619) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
PubChem CID105342619
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C12H19BrN2O2/c1-16-7-3-4-11(15-14)10-6-5-9(13)8-12(10)17-2/h5-6,8,11,15H,3-4,7,14H2,1-2H3
InChIKeyHRHPTOORVJOFHU-UHFFFAOYSA-N
XLogP2.39
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105342587
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
[1-(4-bromo-2-methoxyphenyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105295836
[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
CID 105225087

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine (CID 105342619) is [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine is COCCCC(NN)c1ccc(Br)cc1OC.
What is the InChIKey of [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine?
The InChIKey is HRHPTOORVJOFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-16-7-3-4-11(15-14)10-6-5-9(13)8-12(10)17-2/h5-6,8,11,15H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine?
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine has a molecular weight of 303.20 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine is sourced from PubChem (CID 105342619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).