[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine

C13H22N2OS — CID 106682918

IUPAC[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCOc1cc(C)cc(C)c1C(CCSC)NN
InChIInChI=1S/C13H22N2OS/c1-9-7-10(2)13(12(8-9)16-3)11(15-14)5-6-17-4/h7-8,11,15H,5-6,14H2,1-4H3
InChIKeyDWCOKHJUJHPHIV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.57
Rot. Bonds6

About [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine

[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine (PubChem CID 106682918) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
PubChem CID106682918
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCOc1cc(C)cc(C)c1C(CCSC)NN
InChIInChI=1S/C13H22N2OS/c1-9-7-10(2)13(12(8-9)16-3)11(15-14)5-6-17-4/h7-8,11,15H,5-6,14H2,1-4H3
InChIKeyDWCOKHJUJHPHIV-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 106682947
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831668
[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105312908
[1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 106683000
[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105300238
[2,2-difluoro-1-(2-methoxy-4,6-dimethylphenyl)ethyl]hydrazine
CID 106682824
1-(2,4,6-trimethylphenyl)butylhydrazine
CID 105282251
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
[1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 106682971
[4-methyl-1-(2,4,6-trimethylphenyl)pentyl]hydrazine
CID 105294214
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240
[(2-methoxy-4,6-dimethylphenyl)-phenylmethyl]hydrazine
CID 106682684

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
The IUPAC name of [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine (CID 106682918) is [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine.
What is the SMILES notation for [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
The canonical SMILES for [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine is COc1cc(C)cc(C)c1C(CCSC)NN.
What is the InChIKey of [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
The InChIKey is DWCOKHJUJHPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9-7-10(2)13(12(8-9)16-3)11(15-14)5-6-17-4/h7-8,11,15H,5-6,14H2,1-4H3.
What are the key properties of [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine is sourced from PubChem (CID 106682918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).