1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine

C13H15NS — CID 105001023

IUPAC1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1csc2ccccc12
InChIInChI=1S/C13H15NS/c1-3-12(14-4-2)11-9-15-13-8-6-5-7-10(11)13/h3,5-9,12,14H,1,4H2,2H3
InChIKeyFGJCLNRMHVYNCN-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.74
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine

1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine (PubChem CID 105001023) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
PubChem CID105001023
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1csc2ccccc12
InChIInChI=1S/C13H15NS/c1-3-12(14-4-2)11-9-15-13-8-6-5-7-10(11)13/h3,5-9,12,14H,1,4H2,2H3
InChIKeyFGJCLNRMHVYNCN-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
N-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]ethanamine
CID 43492345
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
N-[1-benzothiophen-3-yl-(2,6-dichlorophenyl)methyl]ethanamine
CID 43492363
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
N-[1-benzothiophen-3-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043811
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918
N-[1-benzothiophen-3-yl-(2,4-dibromophenyl)methyl]ethanamine
CID 107950423

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine (CID 105001023) is 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine is C=CC(NCC)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine?
The InChIKey is FGJCLNRMHVYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-12(14-4-2)11-9-15-13-8-6-5-7-10(11)13/h3,5-9,12,14H,1,4H2,2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine?
1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine has a molecular weight of 217.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 105001023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).