1-(4-bromo-2-methoxyphenyl)hexylhydrazine

C13H21BrN2O — CID 105294755

IUPAC1-(4-bromo-2-methoxyphenyl)hexylhydrazine
SMILESCCCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H21BrN2O/c1-3-4-5-6-12(16-15)11-8-7-10(14)9-13(11)17-2/h7-9,12,16H,3-6,15H2,1-2H3
InChIKeyYELAJWGUBOEWPB-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.54
Rot. Bonds7

About 1-(4-bromo-2-methoxyphenyl)hexylhydrazine

1-(4-bromo-2-methoxyphenyl)hexylhydrazine (PubChem CID 105294755) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)hexylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)hexylhydrazine
PubChem CID105294755
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(4-bromo-2-methoxyphenyl)hexylhydrazine
SMILESCCCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H21BrN2O/c1-3-4-5-6-12(16-15)11-8-7-10(14)9-13(11)17-2/h7-9,12,16H,3-6,15H2,1-2H3
InChIKeyYELAJWGUBOEWPB-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)octylhydrazine
CID 105293670
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
4-bromo-2-(1-hydrazinyloctyl)aniline
CID 105263445
[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine
CID 107895859

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)hexylhydrazine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)hexylhydrazine (CID 105294755) is 1-(4-bromo-2-methoxyphenyl)hexylhydrazine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)hexylhydrazine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)hexylhydrazine is CCCCCC(NN)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)hexylhydrazine?
The InChIKey is YELAJWGUBOEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-3-4-5-6-12(16-15)11-8-7-10(14)9-13(11)17-2/h7-9,12,16H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)hexylhydrazine?
1-(4-bromo-2-methoxyphenyl)hexylhydrazine has a molecular weight of 301.23 g/mol, XLogP of 3.54, 7 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)hexylhydrazine is sourced from PubChem (CID 105294755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).