2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline

C12H14BrN3S — CID 105223929

IUPAC2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1sccc1Br)c1ccccc1N
InChIInChI=1S/C12H14BrN3S/c13-9-5-6-17-12(9)7-11(16-15)8-3-1-2-4-10(8)14/h1-6,11,16H,7,14-15H2
InChIKeyCTWVIUNNGREXAM-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline

2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline (PubChem CID 105223929) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
PubChem CID105223929
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1sccc1Br)c1ccccc1N
InChIInChI=1S/C12H14BrN3S/c13-9-5-6-17-12(9)7-11(16-15)8-3-1-2-4-10(8)14/h1-6,11,16H,7,14-15H2
InChIKeyCTWVIUNNGREXAM-UHFFFAOYSA-N
XLogP2.84
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-2-chlorophenyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299590
[2-(3-bromothiophen-2-yl)-1-(2,3-dichlorophenyl)ethyl]hydrazine
CID 105299508
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
CID 105223953
[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105299497
[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105299572
[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)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
[2-(3-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]hydrazine
CID 105299660
2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105223951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
The IUPAC name of 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline (CID 105223929) is 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline is NNC(Cc1sccc1Br)c1ccccc1N.
What is the InChIKey of 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
The InChIKey is CTWVIUNNGREXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-9-5-6-17-12(9)7-11(16-15)8-3-1-2-4-10(8)14/h1-6,11,16H,7,14-15H2.
What are the key properties of 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline has a molecular weight of 312.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 105223929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).