[4-chloro-1-(3-ethylphenyl)butyl]hydrazine

C12H19ClN2 — CID 105235498

IUPAC[4-chloro-1-(3-ethylphenyl)butyl]hydrazine
SMILESCCc1cccc(C(CCCCl)NN)c1
InChIInChI=1S/C12H19ClN2/c1-2-10-5-3-6-11(9-10)12(15-14)7-4-8-13/h3,5-6,9,12,15H,2,4,7-8,14H2,1H3
InChIKeyJMSHSZHPDQPOSZ-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.77
Rot. Bonds6

About [4-chloro-1-(3-ethylphenyl)butyl]hydrazine

[4-chloro-1-(3-ethylphenyl)butyl]hydrazine (PubChem CID 105235498) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is [4-chloro-1-(3-ethylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-(3-ethylphenyl)butyl]hydrazine
PubChem CID105235498
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name[4-chloro-1-(3-ethylphenyl)butyl]hydrazine
SMILESCCc1cccc(C(CCCCl)NN)c1
InChIInChI=1S/C12H19ClN2/c1-2-10-5-3-6-11(9-10)12(15-14)7-4-8-13/h3,5-6,9,12,15H,2,4,7-8,14H2,1H3
InChIKeyJMSHSZHPDQPOSZ-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(3-ethylphenyl)-4-methoxypentyl]hydrazine
CID 105326321
[1-(3-ethylphenyl)-2-methylsulfonylethyl]hydrazine
CID 105326383
[2-cyclopropyl-1-(3-ethylphenyl)ethyl]hydrazine
CID 105253991
[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225597
1-[3-(2-methylpropyl)phenyl]nonylhydrazine
CID 105340725
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
CID 105235772
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
[2-(3-chloro-2-fluorophenyl)-1-(3-ethylphenyl)ethyl]hydrazine
CID 105264293
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
[4-chloro-1-(4-phenylphenyl)butyl]hydrazine
CID 105235525
[2-chloro-1-(3-ethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265335
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(3-ethylphenyl)butyl]hydrazine?
The IUPAC name of [4-chloro-1-(3-ethylphenyl)butyl]hydrazine (CID 105235498) is [4-chloro-1-(3-ethylphenyl)butyl]hydrazine.
What is the SMILES notation for [4-chloro-1-(3-ethylphenyl)butyl]hydrazine?
The canonical SMILES for [4-chloro-1-(3-ethylphenyl)butyl]hydrazine is CCc1cccc(C(CCCCl)NN)c1.
What is the InChIKey of [4-chloro-1-(3-ethylphenyl)butyl]hydrazine?
The InChIKey is JMSHSZHPDQPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-2-10-5-3-6-11(9-10)12(15-14)7-4-8-13/h3,5-6,9,12,15H,2,4,7-8,14H2,1H3.
What are the key properties of [4-chloro-1-(3-ethylphenyl)butyl]hydrazine?
[4-chloro-1-(3-ethylphenyl)butyl]hydrazine has a molecular weight of 226.75 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(3-ethylphenyl)butyl]hydrazine is sourced from PubChem (CID 105235498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).