[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine

C14H17BrN2S — CID 105299572

IUPAC[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
SMILESCc1cc(C)cc(C(Cc2sccc2Br)NN)c1
InChIInChI=1S/C14H17BrN2S/c1-9-5-10(2)7-11(6-9)13(17-16)8-14-12(15)3-4-18-14/h3-7,13,17H,8,16H2,1-2H3
InChIKeyDDRICZIMGKVTST-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.87
Rot. Bonds4

About [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine

[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine (PubChem CID 105299572) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
PubChem CID105299572
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
SMILESCc1cc(C)cc(C(Cc2sccc2Br)NN)c1
InChIInChI=1S/C14H17BrN2S/c1-9-5-10(2)7-11(6-9)13(17-16)8-14-12(15)3-4-18-14/h3-7,13,17H,8,16H2,1-2H3
InChIKeyDDRICZIMGKVTST-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.87
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

[2-(3-bromothiophen-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200816
[2-(3-bromothiophen-2-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105299564
[2-(3-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105299502
[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105299497
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
CID 105204619
N-[2-(3-bromothiophen-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]propan-1-amine
CID 115848866
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
[2-(3-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]hydrazine
CID 105299660
2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105223929
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine (CID 105299572) is [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine is Cc1cc(C)cc(C(Cc2sccc2Br)NN)c1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine?
The InChIKey is DDRICZIMGKVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-9-5-10(2)7-11(6-9)13(17-16)8-14-12(15)3-4-18-14/h3-7,13,17H,8,16H2,1-2H3.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine has a molecular weight of 325.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105299572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).