[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine

C13H21ClN2O — CID 105235798

IUPAC[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine
SMILESCOc1cc(C)c(C(CCCCl)NN)cc1C
InChIInChI=1S/C13H21ClN2O/c1-9-8-13(17-3)10(2)7-11(9)12(16-15)5-4-6-14/h7-8,12,16H,4-6,15H2,1-3H3
InChIKeyGKJDCGNEAGOAQM-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.84
Rot. Bonds6

About [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine

[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine (PubChem CID 105235798) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine
PubChem CID105235798
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine
SMILESCOc1cc(C)c(C(CCCCl)NN)cc1C
InChIInChI=1S/C13H21ClN2O/c1-9-8-13(17-3)10(2)7-11(9)12(16-15)5-4-6-14/h7-8,12,16H,4-6,15H2,1-3H3
InChIKeyGKJDCGNEAGOAQM-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.84
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

[2-(2-chlorophenyl)-1-(4-methoxy-2,5-dimethylphenyl)ethyl]hydrazine
CID 105209646
1-(2,4,5-trimethylphenyl)octylhydrazine
CID 105312882
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527
[2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)hexyl]hydrazine
CID 105332979
[1-(4-methoxy-2,5-dimethylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267567
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
[2,2-diethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethyl]hydrazine
CID 105246520
[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105312908
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
5-chloro-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 66618720
[5-methyl-1-(2,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331230
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
CID 105235772

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine?
The IUPAC name of [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine (CID 105235798) is [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine.
What is the SMILES notation for [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine?
The canonical SMILES for [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine is COc1cc(C)c(C(CCCCl)NN)cc1C.
What is the InChIKey of [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine?
The InChIKey is GKJDCGNEAGOAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9-8-13(17-3)10(2)7-11(9)12(16-15)5-4-6-14/h7-8,12,16H,4-6,15H2,1-3H3.
What are the key properties of [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine?
[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine has a molecular weight of 256.78 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine is sourced from PubChem (CID 105235798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).