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

C17H19Cl2NS — CID 115863301

IUPAC2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C17H19Cl2NS/c1-2-20-15(9-12-8-13(18)6-7-14(12)19)17-10-11-4-3-5-16(11)21-17/h6-8,10,15,20H,2-5,9H2,1H3
InChIKeyZWWSLPFHJMCGOY-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.44
Rot. Bonds5

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

2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine (PubChem CID 115863301) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
PubChem CID115863301
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C17H19Cl2NS/c1-2-20-15(9-12-8-13(18)6-7-14(12)19)17-10-11-4-3-5-16(11)21-17/h6-8,10,15,20H,2-5,9H2,1H3
InChIKeyZWWSLPFHJMCGOY-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63528156
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
[2-(5-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 103053843
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377291
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115864397
[2-(4-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105342696
2-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 81266579
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63527239
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylbut-3-en-1-amine
CID 115815173
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115820000

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine (CID 115863301) is 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The InChIKey is ZWWSLPFHJMCGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-2-20-15(9-12-8-13(18)6-7-14(12)19)17-10-11-4-3-5-16(11)21-17/h6-8,10,15,20H,2-5,9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine has a molecular weight of 340.32 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115863301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).