2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine

C17H20ClFN2S — CID 71896252

IUPAC2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine
SMILESFc1cccc(Cl)c1C(CNCc1cccs1)N1CCCC1
InChIInChI=1S/C17H20ClFN2S/c18-14-6-3-7-15(19)17(14)16(21-8-1-2-9-21)12-20-11-13-5-4-10-22-13/h3-7,10,16,20H,1-2,8-9,11-12H2
InChIKeyXARVYHBXFFCXJR-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.47
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine

2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 71896252) has the molecular formula C17H20ClFN2S and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID71896252
Molecular FormulaC17H20ClFN2S
Molecular Weight338.88 g/mol
Exact Mass338.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine
SMILESFc1cccc(Cl)c1C(CNCc1cccs1)N1CCCC1
InChIInChI=1S/C17H20ClFN2S/c18-14-6-3-7-15(19)17(14)16(21-8-1-2-9-21)12-20-11-13-5-4-10-22-13/h3-7,10,16,20H,1-2,8-9,11-12H2
InChIKeyXARVYHBXFFCXJR-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)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-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine (CID 71896252) is 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine is Fc1cccc(Cl)c1C(CNCc1cccs1)N1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XARVYHBXFFCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2S/c18-14-6-3-7-15(19)17(14)16(21-8-1-2-9-21)12-20-11-13-5-4-10-22-13/h3-7,10,16,20H,1-2,8-9,11-12H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 338.88 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 71896252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).