4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline

C13H16FN3S — CID 105263131

IUPAC4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline
SMILESNNC(CCc1cccs1)c1cc(F)ccc1N
InChIInChI=1S/C13H16FN3S/c14-9-3-5-12(15)11(8-9)13(17-16)6-4-10-2-1-7-18-10/h1-3,5,7-8,13,17H,4,6,15-16H2
InChIKeyIBLQVSBXUNOMML-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.61
Rot. Bonds5

About 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline

4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline (PubChem CID 105263131) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline
PubChem CID105263131
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline
SMILESNNC(CCc1cccs1)c1cc(F)ccc1N
InChIInChI=1S/C13H16FN3S/c14-9-3-5-12(15)11(8-9)13(17-16)6-4-10-2-1-7-18-10/h1-3,5,7-8,13,17H,4,6,15-16H2
InChIKeyIBLQVSBXUNOMML-UHFFFAOYSA-N
XLogP2.61
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.61
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'}

Analyze 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105308798
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
[1-(3-iodophenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308804
[1-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105201470
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
[1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308893
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
CID 105223953
[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline
CID 107012619
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline?
The IUPAC name of 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline (CID 105263131) is 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline is NNC(CCc1cccs1)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline?
The InChIKey is IBLQVSBXUNOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c14-9-3-5-12(15)11(8-9)13(17-16)6-4-10-2-1-7-18-10/h1-3,5,7-8,13,17H,4,6,15-16H2.
What are the key properties of 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline?
4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline has a molecular weight of 265.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 105263131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).