3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline

C16H21FN2OS — CID 139777559

IUPAC3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline
SMILESCNc1cccc(OCCN(CCF)Cc2ccsc2)c1
InChIInChI=1S/C16H21FN2OS/c1-18-15-3-2-4-16(11-15)20-9-8-19(7-6-17)12-14-5-10-21-13-14/h2-5,10-11,13,18H,6-9,12H2,1H3
InChIKeyIJIHDIBQIKZUNU-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.64
Rot. Bonds9

About 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline

3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline (PubChem CID 139777559) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline.

Molecular Properties

Compound Name3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline
PubChem CID139777559
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline
SMILESCNc1cccc(OCCN(CCF)Cc2ccsc2)c1
InChIInChI=1S/C16H21FN2OS/c1-18-15-3-2-4-16(11-15)20-9-8-19(7-6-17)12-14-5-10-21-13-14/h2-5,10-11,13,18H,6-9,12H2,1H3
InChIKeyIJIHDIBQIKZUNU-UHFFFAOYSA-N
XLogP3.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline 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 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline?
The IUPAC name of 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline (CID 139777559) is 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline.
What is the SMILES notation for 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline?
The canonical SMILES for 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline is CNc1cccc(OCCN(CCF)Cc2ccsc2)c1.
What is the InChIKey of 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline?
The InChIKey is IJIHDIBQIKZUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-18-15-3-2-4-16(11-15)20-9-8-19(7-6-17)12-14-5-10-21-13-14/h2-5,10-11,13,18H,6-9,12H2,1H3.
What are the key properties of 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline?
3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline has a molecular weight of 308.42 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-fluoroethyl(thiophen-3-ylmethyl)amino]ethoxy]-N-methylaniline is sourced from PubChem (CID 139777559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).