1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine

C18H18FNS — CID 63527754

IUPAC1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1cc2ccccc2s1
InChIInChI=1S/C18H18FNS/c1-2-20-16(11-13-7-3-5-9-15(13)19)18-12-14-8-4-6-10-17(14)21-18/h3-10,12,16,20H,2,11H2,1H3
InChIKeyUVWWMSUKOSWQLG-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.93
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine

1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine (PubChem CID 63527754) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
PubChem CID63527754
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1cc2ccccc2s1
InChIInChI=1S/C18H18FNS/c1-2-20-16(11-13-7-3-5-9-15(13)19)18-12-14-8-4-6-10-17(14)21-18/h3-10,12,16,20H,2,11H2,1H3
InChIKeyUVWWMSUKOSWQLG-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
2-[1-diethoxyphosphoryl-2-(2-fluorophenyl)ethyl]-1-benzothiophene
CID 24946926
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 79693438
[1-(1-benzothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868587
N-[1-benzothiophen-2-yl-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79722957

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine (CID 63527754) is 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine is CCNC(Cc1ccccc1F)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The InChIKey is UVWWMSUKOSWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-2-20-16(11-13-7-3-5-9-15(13)19)18-12-14-8-4-6-10-17(14)21-18/h3-10,12,16,20H,2,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine has a molecular weight of 299.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 63527754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).