1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine

C13H19NS — CID 105078795

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)C1Cc2ccccc2S1
InChIInChI=1S/C13H19NS/c1-3-11(14-4-2)13-9-10-7-5-6-8-12(10)15-13/h5-8,11,13-14H,3-4,9H2,1-2H3
InChIKeyQIZKFTZFINKYFT-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine (PubChem CID 105078795) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
PubChem CID105078795
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)C1Cc2ccccc2S1
InChIInChI=1S/C13H19NS/c1-3-11(14-4-2)13-9-10-7-5-6-8-12(10)15-13/h5-8,11,13-14H,3-4,9H2,1-2H3
InChIKeyQIZKFTZFINKYFT-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
CID 105165121
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105138314
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105165036
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylpropan-1-amine
CID 65410925
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 105101921

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine (CID 105078795) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine is CCNC(CC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine?
The InChIKey is QIZKFTZFINKYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-11(14-4-2)13-9-10-7-5-6-8-12(10)15-13/h5-8,11,13-14H,3-4,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 105078795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).