2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine

C15H15ClFNS — CID 105032353

IUPAC2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H15ClFNS/c16-15-10(4-1-5-11(15)17)7-12(18)14-8-9-3-2-6-13(9)19-14/h1,4-5,8,12H,2-3,6-7,18H2
InChIKeyNODKIEWKDYXWND-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.27
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (PubChem CID 105032353) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
PubChem CID105032353
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H15ClFNS/c16-15-10(4-1-5-11(15)17)7-12(18)14-8-9-3-2-6-13(9)19-14/h1,4-5,8,12H,2-3,6-7,18H2
InChIKeyNODKIEWKDYXWND-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
2-(2-chloro-5-fluorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 102622658
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050976
2-(2-chloro-4-methylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 106866863
2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 107312537
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
2-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115823598
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 107312914
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894
2-(2,5-dimethylphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63527279
[2-(4-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105342696
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63528654

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (CID 105032353) is 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine is NC(Cc1cccc(F)c1Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The InChIKey is NODKIEWKDYXWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-15-10(4-1-5-11(15)17)7-12(18)14-8-9-3-2-6-13(9)19-14/h1,4-5,8,12H,2-3,6-7,18H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine is sourced from PubChem (CID 105032353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).