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

C13H21BrN2O — CID 107895859

IUPAC[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H21BrN2O/c1-4-5-9(2)13(16-15)11-7-6-10(14)8-12(11)17-3/h6-9,13,16H,4-5,15H2,1-3H3
InChIKeyJXPLYSIQCGUJFS-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.40
Rot. Bonds6

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

[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine (PubChem CID 107895859) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine
PubChem CID107895859
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H21BrN2O/c1-4-5-9(2)13(16-15)11-7-6-10(14)8-12(11)17-3/h6-9,13,16H,4-5,15H2,1-3H3
InChIKeyJXPLYSIQCGUJFS-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
[1-(4-bromo-2-methylphenyl)-2-methylbutyl]hydrazine
CID 105325669
[1-(6-bromonaphthalen-2-yl)-2-methylpentyl]hydrazine
CID 107895915
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044773
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine (CID 107895859) is [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine is CCCC(C)C(NN)c1ccc(Br)cc1OC.
What is the InChIKey of [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine?
The InChIKey is JXPLYSIQCGUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-5-9(2)13(16-15)11-7-6-10(14)8-12(11)17-3/h6-9,13,16H,4-5,15H2,1-3H3.
What are the key properties of [1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine?
[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine has a molecular weight of 301.23 g/mol, XLogP of 3.40, 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)-2-methylpentyl]hydrazine is sourced from PubChem (CID 107895859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).