2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine

C14H21FN2S — CID 114066084

IUPAC2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
SMILESCC1SCCN(c2cccc(F)c2CCN)C1C
InChIInChI=1S/C14H21FN2S/c1-10-11(2)18-9-8-17(10)14-5-3-4-13(15)12(14)6-7-16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyVLEVUQHOBSTVTJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine

2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine (PubChem CID 114066084) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
PubChem CID114066084
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
SMILESCC1SCCN(c2cccc(F)c2CCN)C1C
InChIInChI=1S/C14H21FN2S/c1-10-11(2)18-9-8-17(10)14-5-3-4-13(15)12(14)6-7-16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyVLEVUQHOBSTVTJ-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine 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 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine (CID 114066084) is 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine is CC1SCCN(c2cccc(F)c2CCN)C1C.
What is the InChIKey of 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
The InChIKey is VLEVUQHOBSTVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-10-11(2)18-9-8-17(10)14-5-3-4-13(15)12(14)6-7-16/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 114066084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).