[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine

C11H17ClN2O — CID 105267204

IUPAC[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine
SMILESCOC(C)CC(NN)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-8(15-2)6-11(14-13)9-4-3-5-10(12)7-9/h3-5,7-8,11,14H,6,13H2,1-2H3
InChIKeyLAQYXLFDORAEJT-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.27
Rot. Bonds5

About [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine

[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine (PubChem CID 105267204) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine
PubChem CID105267204
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine
SMILESCOC(C)CC(NN)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-8(15-2)6-11(14-13)9-4-3-5-10(12)7-9/h3-5,7-8,11,14H,6,13H2,1-2H3
InChIKeyLAQYXLFDORAEJT-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.27
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'}

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Related Compounds

[1-(3-cyclobutylphenyl)-3-methoxybutyl]hydrazine
CID 105266997
[1-(3-chlorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105289207
[1-(3-ethylphenyl)-4-methoxypentyl]hydrazine
CID 105326321
[1-(4-chlorophenyl)-4-methoxypentyl]hydrazine
CID 105281183
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
[3-methoxy-1-(4-propan-2-yloxyphenyl)butyl]hydrazine
CID 105267222
[1-(3-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105194806
[2-(3-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethyl]hydrazine
CID 105195073
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
[1-(3-chlorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151942
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine (CID 105267204) is [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine is COC(C)CC(NN)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine?
The InChIKey is LAQYXLFDORAEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(15-2)6-11(14-13)9-4-3-5-10(12)7-9/h3-5,7-8,11,14H,6,13H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine?
[1-(3-chlorophenyl)-3-methoxybutyl]hydrazine has a molecular weight of 228.72 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-methoxybutyl]hydrazine is sourced from PubChem (CID 105267204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).