3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine

C14H17NO2S — CID 112517172

IUPAC3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine
SMILESCOc1cccc(OCC(CN)c2cccs2)c1
InChIInChI=1S/C14H17NO2S/c1-16-12-4-2-5-13(8-12)17-10-11(9-15)14-6-3-7-18-14/h2-8,11H,9-10,15H2,1H3
InChIKeyUQHDLDDHXPLRQB-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.88
Rot. Bonds6

About 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine

3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine (PubChem CID 112517172) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine
PubChem CID112517172
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine
SMILESCOc1cccc(OCC(CN)c2cccs2)c1
InChIInChI=1S/C14H17NO2S/c1-16-12-4-2-5-13(8-12)17-10-11(9-15)14-6-3-7-18-14/h2-8,11H,9-10,15H2,1H3
InChIKeyUQHDLDDHXPLRQB-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516897
2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine
CID 117240604
3-(3-butoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975965
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
CID 112500977
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine (CID 112517172) is 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine is COc1cccc(OCC(CN)c2cccs2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is UQHDLDDHXPLRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-16-12-4-2-5-13(8-12)17-10-11(9-15)14-6-3-7-18-14/h2-8,11H,9-10,15H2,1H3.
What are the key properties of 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine?
3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 112517172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).