[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine

C13H19ClN2O — CID 105309951

IUPAC[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(COc1cccc(Cl)c1)CC1CCC1
InChIInChI=1S/C13H19ClN2O/c14-11-5-2-6-13(8-11)17-9-12(16-15)7-10-3-1-4-10/h2,5-6,8,10,12,16H,1,3-4,7,9,15H2
InChIKeyYGYFIRSIBVAAOC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.74
Rot. Bonds6

About [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine

[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine (PubChem CID 105309951) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
PubChem CID105309951
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(COc1cccc(Cl)c1)CC1CCC1
InChIInChI=1S/C13H19ClN2O/c14-11-5-2-6-13(8-11)17-9-12(16-15)7-10-3-1-4-10/h2,5-6,8,10,12,16H,1,3-4,7,9,15H2
InChIKeyYGYFIRSIBVAAOC-UHFFFAOYSA-N
XLogP2.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.74
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

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[2-(3-chlorophenoxy)-1-(oxolan-3-yl)ethyl]hydrazine
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[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
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[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
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[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105324483
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
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[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
CID 105311025
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
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[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine (CID 105309951) is [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine is NNC(COc1cccc(Cl)c1)CC1CCC1.
What is the InChIKey of [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine?
The InChIKey is YGYFIRSIBVAAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-5-2-6-13(8-11)17-9-12(16-15)7-10-3-1-4-10/h2,5-6,8,10,12,16H,1,3-4,7,9,15H2.
What are the key properties of [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine?
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine has a molecular weight of 254.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine is sourced from PubChem (CID 105309951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).