[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine

C16H21ClN2S — CID 105217739

IUPAC[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine
SMILESCCC(CC)(c1ccccc1)C(NN)c1ccc(Cl)s1
InChIInChI=1S/C16H21ClN2S/c1-3-16(4-2,12-8-6-5-7-9-12)15(19-18)13-10-11-14(17)20-13/h5-11,15,19H,3-4,18H2,1-2H3
InChIKeyUQLWPSDEVKPKAE-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.66
Rot. Bonds6

About [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine

[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine (PubChem CID 105217739) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine
PubChem CID105217739
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine
SMILESCCC(CC)(c1ccccc1)C(NN)c1ccc(Cl)s1
InChIInChI=1S/C16H21ClN2S/c1-3-16(4-2,12-8-6-5-7-9-12)15(19-18)13-10-11-14(17)20-13/h5-11,15,19H,3-4,18H2,1-2H3
InChIKeyUQLWPSDEVKPKAE-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-chlorothiophen-2-yl)-3-ethyl-3-phenylpentan-2-yl]hydrazine
CID 105217759
1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 107359725
[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine
CID 105195292
[(5-chlorothiophen-2-yl)-(2-ethylphenyl)methyl]hydrazine
CID 105328291
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
(5-ethyl-2-methyl-5-phenylhept-1-en-4-yl)hydrazine
CID 105217758
[1-(5-chlorothiophen-2-yl)-2-methylpentyl]hydrazine
CID 105328244
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine (CID 105217739) is [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine is CCC(CC)(c1ccccc1)C(NN)c1ccc(Cl)s1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine?
The InChIKey is UQLWPSDEVKPKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-3-16(4-2,12-8-6-5-7-9-12)15(19-18)13-10-11-14(17)20-13/h5-11,15,19H,3-4,18H2,1-2H3.
What are the key properties of [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine?
[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine has a molecular weight of 308.88 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine is sourced from PubChem (CID 105217739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).