2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine

C15H21N3S — CID 105165804

IUPAC2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
SMILESCCn1ccnc1CC(N)C1CCCc2sccc21
InChIInChI=1S/C15H21N3S/c1-2-18-8-7-17-15(18)10-13(16)11-4-3-5-14-12(11)6-9-19-14/h6-9,11,13H,2-5,10,16H2,1H3
InChIKeyQZCZGNUNEKXQGR-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.95
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine

2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine (PubChem CID 105165804) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
PubChem CID105165804
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
SMILESCCn1ccnc1CC(N)C1CCCc2sccc21
InChIInChI=1S/C15H21N3S/c1-2-18-8-7-17-15(18)10-13(16)11-4-3-5-14-12(11)6-9-19-14/h6-9,11,13H,2-5,10,16H2,1H3
InChIKeyQZCZGNUNEKXQGR-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79751984
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
2-(4-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105088537
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
CID 105124704
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
CID 79761126
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 107004731
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-4-yn-1-amine
CID 105181415
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
2-(1-ethylimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105009551

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine (CID 105165804) is 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine is CCn1ccnc1CC(N)C1CCCc2sccc21.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine?
The InChIKey is QZCZGNUNEKXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-18-8-7-17-15(18)10-13(16)11-4-3-5-14-12(11)6-9-19-14/h6-9,11,13H,2-5,10,16H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine?
2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine is sourced from PubChem (CID 105165804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).