2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine

C12H17NS — CID 168764165

IUPAC2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine
SMILESCCNCCc1ccc2c(c1)CCS2
InChIInChI=1S/C12H17NS/c1-2-13-7-5-10-3-4-12-11(9-10)6-8-14-12/h3-4,9,13H,2,5-8H2,1H3
InChIKeyCETXTIWUYGOQFG-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.49
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine

2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine (PubChem CID 168764165) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine
PubChem CID168764165
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine
SMILESCCNCCc1ccc2c(c1)CCS2
InChIInChI=1S/C12H17NS/c1-2-13-7-5-10-3-4-12-11(9-10)6-8-14-12/h3-4,9,13H,2,5-8H2,1H3
InChIKeyCETXTIWUYGOQFG-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dihydro-2H-thiochromen-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205876
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]methanol
CID 115229368
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]acetonitrile
CID 115131281
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
3-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]propane-1,2-diol
CID 115122351
N-(azetidin-3-ylmethyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)ethanamine
CID 115207833
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]propanenitrile
CID 115130444
2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
CID 115259640
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
CID 150445494
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
N'-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]oxamide
CID 115192143

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine (CID 168764165) is 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine is CCNCCc1ccc2c(c1)CCS2.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine?
The InChIKey is CETXTIWUYGOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-13-7-5-10-3-4-12-11(9-10)6-8-14-12/h3-4,9,13H,2,5-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine?
2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine has a molecular weight of 207.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine is sourced from PubChem (CID 168764165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).