[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine

C13H21ClN2O — CID 105235769

IUPAC[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
SMILESCCCOc1ccc(C(CCCCl)NN)cc1
InChIInChI=1S/C13H21ClN2O/c1-2-10-17-12-7-5-11(6-8-12)13(16-15)4-3-9-14/h5-8,13,16H,2-4,9-10,15H2,1H3
InChIKeyULNHUNPEGNPCPF-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.00
Rot. Bonds8

About [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine

[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine (PubChem CID 105235769) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
PubChem CID105235769
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
SMILESCCCOc1ccc(C(CCCCl)NN)cc1
InChIInChI=1S/C13H21ClN2O/c1-2-10-17-12-7-5-11(6-8-12)13(16-15)4-3-9-14/h5-8,13,16H,2-4,9-10,15H2,1H3
InChIKeyULNHUNPEGNPCPF-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-butoxyphenyl)pentylhydrazine
CID 105293831
[3-cyclopentyl-1-(4-propoxyphenyl)propyl]hydrazine
CID 105303675
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625
[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105227278
[1-(4-propoxyphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212522
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
CID 105235772
[4-chloro-1-(4-phenylphenyl)butyl]hydrazine
CID 105235525
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine?
The IUPAC name of [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine (CID 105235769) is [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine.
What is the SMILES notation for [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine?
The canonical SMILES for [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine is CCCOc1ccc(C(CCCCl)NN)cc1.
What is the InChIKey of [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine?
The InChIKey is ULNHUNPEGNPCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-10-17-12-7-5-11(6-8-12)13(16-15)4-3-9-14/h5-8,13,16H,2-4,9-10,15H2,1H3.
What are the key properties of [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine?
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine has a molecular weight of 256.78 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(4-propoxyphenyl)butyl]hydrazine is sourced from PubChem (CID 105235769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).