2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine

C17H19ClFNS — CID 63527379

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C17H19ClFNS/c1-2-20-15(10-12-13(18)6-4-7-14(12)19)17-9-11-5-3-8-16(11)21-17/h4,6-7,9,15,20H,2-3,5,8,10H2,1H3
InChIKeyMTUWHFMEPZDBHA-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.92
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine

2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine (PubChem CID 63527379) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
PubChem CID63527379
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C17H19ClFNS/c1-2-20-15(10-12-13(18)6-4-7-14(12)19)17-9-11-5-3-8-16(11)21-17/h4,6-7,9,15,20H,2-3,5,8,10H2,1H3
InChIKeyMTUWHFMEPZDBHA-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine (CID 63527379) is 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine is CCNC(Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The InChIKey is MTUWHFMEPZDBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c1-2-20-15(10-12-13(18)6-4-7-14(12)19)17-9-11-5-3-8-16(11)21-17/h4,6-7,9,15,20H,2-3,5,8,10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine has a molecular weight of 323.86 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63527379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).