1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine

C14H17NO2S — CID 117246169

IUPAC1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(OCC(N)Cc2cccs2)cc1
InChIInChI=1S/C14H17NO2S/c1-16-12-4-6-13(7-5-12)17-10-11(15)9-14-3-2-8-18-14/h2-8,11H,9-10,15H2,1H3
InChIKeyAGJOEARGQFFPII-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine

1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine (PubChem CID 117246169) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
PubChem CID117246169
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(OCC(N)Cc2cccs2)cc1
InChIInChI=1S/C14H17NO2S/c1-16-12-4-6-13(7-5-12)17-10-11(15)9-14-3-2-8-18-14/h2-8,11H,9-10,15H2,1H3
InChIKeyAGJOEARGQFFPII-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
3-(2-amino-3-thiophen-2-ylpropoxy)phenol
CID 117246145
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine (CID 117246169) is 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine is COc1ccc(OCC(N)Cc2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is AGJOEARGQFFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-16-12-4-6-13(7-5-12)17-10-11(15)9-14-3-2-8-18-14/h2-8,11H,9-10,15H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine?
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 263.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 117246169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).