2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine

C13H15NO2S — CID 117240220

IUPAC2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
SMILESCOc1ccc(OCC(N)c2cccs2)cc1
InChIInChI=1S/C13H15NO2S/c1-15-10-4-6-11(7-5-10)16-9-12(14)13-3-2-8-17-13/h2-8,12H,9,14H2,1H3
InChIKeyHBRXQRYZBNNVFZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.84
Rot. Bonds5

About 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine

2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine (PubChem CID 117240220) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
PubChem CID117240220
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
SMILESCOc1ccc(OCC(N)c2cccs2)cc1
InChIInChI=1S/C13H15NO2S/c1-15-10-4-6-11(7-5-10)16-9-12(14)13-3-2-8-17-13/h2-8,12H,9,14H2,1H3
InChIKeyHBRXQRYZBNNVFZ-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
CID 54971662
3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine
CID 112517172
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine (CID 117240220) is 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine is COc1ccc(OCC(N)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine?
The InChIKey is HBRXQRYZBNNVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-10-4-6-11(7-5-10)16-9-12(14)13-3-2-8-17-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine?
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 117240220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).