1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine

C12H19NO2S — CID 115847041

IUPAC1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCOc1csc(C(N)CC2CCOCC2)c1
InChIInChI=1S/C12H19NO2S/c1-14-10-7-12(16-8-10)11(13)6-9-2-4-15-5-3-9/h7-9,11H,2-6,13H2,1H3
InChIKeyAPIKVOWTOVUUGQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine

1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 115847041) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
PubChem CID115847041
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCOc1csc(C(N)CC2CCOCC2)c1
InChIInChI=1S/C12H19NO2S/c1-14-10-7-12(16-8-10)11(13)6-9-2-4-15-5-3-9/h7-9,11H,2-6,13H2,1H3
InChIKeyAPIKVOWTOVUUGQ-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(4-methoxythiophen-2-yl)methanamine
CID 115779094
(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine
CID 104989039
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
CID 105138713
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 105024285
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
1-(4-methoxythiophen-2-yl)-5-(oxan-4-yl)pentan-1-one
CID 114193018
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine (CID 115847041) is 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine is COc1csc(C(N)CC2CCOCC2)c1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is APIKVOWTOVUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-14-10-7-12(16-8-10)11(13)6-9-2-4-15-5-3-9/h7-9,11H,2-6,13H2,1H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115847041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).