1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine

C14H21NOS — CID 105165121

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1Cc2ccccc2S1
InChIInChI=1S/C14H21NOS/c1-3-15-12(10-16-4-2)14-9-11-7-5-6-8-13(11)17-14/h5-8,12,14-15H,3-4,9-10H2,1-2H3
InChIKeyAWOIUZAGFVSQCZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.72
Rot. Bonds6

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine (PubChem CID 105165121) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
PubChem CID105165121
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1Cc2ccccc2S1
InChIInChI=1S/C14H21NOS/c1-3-15-12(10-16-4-2)14-9-11-7-5-6-8-13(11)17-14/h5-8,12,14-15H,3-4,9-10H2,1-2H3
InChIKeyAWOIUZAGFVSQCZ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105165036
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
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
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105138314
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169089

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine (CID 105165121) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine?
The InChIKey is AWOIUZAGFVSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-15-12(10-16-4-2)14-9-11-7-5-6-8-13(11)17-14/h5-8,12,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine has a molecular weight of 251.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105165121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).