2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine

C14H17NOS — CID 65330130

IUPAC2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
SMILESNC(Cc1csc2ccccc12)C1CCOC1
InChIInChI=1S/C14H17NOS/c15-13(10-5-6-16-8-10)7-11-9-17-14-4-2-1-3-12(11)14/h1-4,9-10,13H,5-8,15H2
InChIKeyGKRCSQMGOGDPFA-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.81
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine

2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 65330130) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID65330130
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
SMILESNC(Cc1csc2ccccc12)C1CCOC1
InChIInChI=1S/C14H17NOS/c15-13(10-5-6-16-8-10)7-11-9-17-14-4-2-1-3-12(11)14/h1-4,9-10,13H,5-8,15H2
InChIKeyGKRCSQMGOGDPFA-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
3-[1-benzothiophen-3-yl(bromo)methyl]oxolane
CID 61276898
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352423
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 126997525
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine (CID 65330130) is 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine is NC(Cc1csc2ccccc12)C1CCOC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is GKRCSQMGOGDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c15-13(10-5-6-16-8-10)7-11-9-17-14-4-2-1-3-12(11)14/h1-4,9-10,13H,5-8,15H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65330130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).