1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine

C11H13FN2S — CID 80694386

IUPAC1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2CCF
InChIInChI=1S/C11H13FN2S/c1-15-11-7-8(13)6-10-9(11)2-4-14(10)5-3-12/h2,4,6-7H,3,5,13H2,1H3
InChIKeyMYESQFGAIFLHKH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine

1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine (PubChem CID 80694386) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine
PubChem CID80694386
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2CCF
InChIInChI=1S/C11H13FN2S/c1-15-11-7-8(13)6-10-9(11)2-4-14(10)5-3-12/h2,4,6-7H,3,5,13H2,1H3
InChIKeyMYESQFGAIFLHKH-UHFFFAOYSA-N
XLogP2.91
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine (CID 80694386) is 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine is CSc1cc(N)cc2c1ccn2CCF.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine?
The InChIKey is MYESQFGAIFLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-15-11-7-8(13)6-10-9(11)2-4-14(10)5-3-12/h2,4,6-7H,3,5,13H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine?
1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine has a molecular weight of 224.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 80694386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).