2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine

C13H21NOS — CID 115842655

IUPAC2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
SMILESCCc1ccc(CC(N)C2CCCCO2)s1
InChIInChI=1S/C13H21NOS/c1-2-10-6-7-11(16-10)9-12(14)13-5-3-4-8-15-13/h6-7,12-13H,2-5,8-9,14H2,1H3
InChIKeyDIMCVMAFRJJFSR-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.75
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine (PubChem CID 115842655) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
PubChem CID115842655
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
SMILESCCc1ccc(CC(N)C2CCCCO2)s1
InChIInChI=1S/C13H21NOS/c1-2-10-6-7-11(16-10)9-12(14)13-5-3-4-8-15-13/h6-7,12-13H,2-5,8-9,14H2,1H3
InChIKeyDIMCVMAFRJJFSR-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
CID 115842635
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
CID 61082899
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
CID 115821833
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
1-(oxolan-2-yl)-2-thiophen-3-ylethanamine
CID 61080120
(5-ethylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62213511
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine (CID 115842655) is 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine is CCc1ccc(CC(N)C2CCCCO2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine?
The InChIKey is DIMCVMAFRJJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-10-6-7-11(16-10)9-12(14)13-5-3-4-8-15-13/h6-7,12-13H,2-5,8-9,14H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 115842655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).