[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine

C13H22N2O3 — CID 105225087

IUPAC[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1c(OC)cccc1OC
InChIInChI=1S/C13H22N2O3/c1-16-9-5-6-10(15-14)13-11(17-2)7-4-8-12(13)18-3/h4,7-8,10,15H,5-6,9,14H2,1-3H3
InChIKeyVXIQHYMJVREDKS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds8

About [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine

[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine (PubChem CID 105225087) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
PubChem CID105225087
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1c(OC)cccc1OC
InChIInChI=1S/C13H22N2O3/c1-16-9-5-6-10(15-14)13-11(17-2)7-4-8-12(13)18-3/h4,7-8,10,15H,5-6,9,14H2,1-3H3
InChIKeyVXIQHYMJVREDKS-UHFFFAOYSA-N
XLogP1.63
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]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-(2,6-dimethoxyphenyl)hexylhydrazine
CID 105294707
[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105280471
[4-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105225070
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105190249
1-(2-fluoro-6-methoxyphenyl)oct-7-enylhydrazine
CID 107012577
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine?
The IUPAC name of [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine (CID 105225087) is [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine?
The canonical SMILES for [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine is COCCCC(NN)c1c(OC)cccc1OC.
What is the InChIKey of [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine?
The InChIKey is VXIQHYMJVREDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-16-9-5-6-10(15-14)13-11(17-2)7-4-8-12(13)18-3/h4,7-8,10,15H,5-6,9,14H2,1-3H3.
What are the key properties of [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine?
[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine has a molecular weight of 254.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine is sourced from PubChem (CID 105225087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).