[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine

C13H22N2OS — CID 105225439

IUPAC[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
SMILESCCSCC(Cc1cc(C)ccc1OC)NN
InChIInChI=1S/C13H22N2OS/c1-4-17-9-12(15-14)8-11-7-10(2)5-6-13(11)16-3/h5-7,12,15H,4,8-9,14H2,1-3H3
InChIKeyBTBCLTPTILBRPZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.13
Rot. Bonds7

About [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine

[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105225439) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
PubChem CID105225439
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
SMILESCCSCC(Cc1cc(C)ccc1OC)NN
InChIInChI=1S/C13H22N2OS/c1-4-17-9-12(15-14)8-11-7-10(2)5-6-13(11)16-3/h5-7,12,15H,4,8-9,14H2,1-3H3
InChIKeyBTBCLTPTILBRPZ-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.13
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

N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
[1-(2-methoxy-5-methylphenyl)-4-propoxybutan-2-yl]hydrazine
CID 105291973
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135466
[1,1-dimethoxy-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105246103
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
CID 103151784
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112
1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 65136479
[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226128
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090

Frequently Asked Questions

What is the IUPAC name of [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine (CID 105225439) is [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine is CCSCC(Cc1cc(C)ccc1OC)NN.
What is the InChIKey of [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is BTBCLTPTILBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-17-9-12(15-14)8-11-7-10(2)5-6-13(11)16-3/h5-7,12,15H,4,8-9,14H2,1-3H3.
What are the key properties of [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine?
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).