2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine

C17H19Cl2NS — CID 63528156

IUPAC2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C17H19Cl2NS/c1-2-20-15(9-11-6-7-13(18)14(19)8-11)17-10-12-4-3-5-16(12)21-17/h6-8,10,15,20H,2-5,9H2,1H3
InChIKeyFSIQKDIZZLWMSM-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.44
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine

2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine (PubChem CID 63528156) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
PubChem CID63528156
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C17H19Cl2NS/c1-2-20-15(9-11-6-7-13(18)14(19)8-11)17-10-12-4-3-5-16(12)21-17/h6-8,10,15,20H,2-5,9H2,1H3
InChIKeyFSIQKDIZZLWMSM-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-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine with MolForge

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115864397
2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 115863301
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63530771
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63531101
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63528654
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
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-ethyl-4-phenylbutan-1-amine
CID 115849649
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-ethylbut-3-en-1-amine
CID 115815173

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine (CID 63528156) is 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
The InChIKey is FSIQKDIZZLWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-2-20-15(9-11-6-7-13(18)14(19)8-11)17-10-12-4-3-5-16(12)21-17/h6-8,10,15,20H,2-5,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine?
2-(3,4-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-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63528156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).