1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

C18H22FNS — CID 105377291

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22FNS/c1-3-20-16(10-14-9-15(19)8-7-12(14)2)18-11-13-5-4-6-17(13)21-18/h7-9,11,16,20H,3-6,10H2,1-2H3
InChIKeyWMAVMKKMXDSPCZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.58
Rot. Bonds5

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105377291) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105377291
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22FNS/c1-3-20-16(10-14-9-15(19)8-7-12(14)2)18-11-13-5-4-6-17(13)21-18/h7-9,11,16,20H,3-6,10H2,1-2H3
InChIKeyWMAVMKKMXDSPCZ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852558
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115843819
2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 115863301
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63527239
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115864397
[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105287656
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050976
2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63528156
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105377291) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is WMAVMKKMXDSPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-3-20-16(10-14-9-15(19)8-7-12(14)2)18-11-13-5-4-6-17(13)21-18/h7-9,11,16,20H,3-6,10H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 303.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105377291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).