1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol

C16H21NO3S — CID 62841183

IUPAC1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)c2ccsc2)c1
InChIInChI=1S/C16H21NO3S/c1-12(13-6-7-21-11-13)17-9-14(18)10-20-16-5-3-4-15(8-16)19-2/h3-8,11-12,14,17-18H,9-10H2,1-2H3
InChIKeyBOXAIMOGNUNJFE-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.85
Rot. Bonds8

About 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol

1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 62841183) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID62841183
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)c2ccsc2)c1
InChIInChI=1S/C16H21NO3S/c1-12(13-6-7-21-11-13)17-9-14(18)10-20-16-5-3-4-15(8-16)19-2/h3-8,11-12,14,17-18H,9-10H2,1-2H3
InChIKeyBOXAIMOGNUNJFE-UHFFFAOYSA-N
XLogP2.85
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978
1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840500
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841532
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
CID 70552130
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 62841183) is 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is COc1cccc(OCC(O)CNC(C)c2ccsc2)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is BOXAIMOGNUNJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12(13-6-7-21-11-13)17-9-14(18)10-20-16-5-3-4-15(8-16)19-2/h3-8,11-12,14,17-18H,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol has a molecular weight of 307.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 62841183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).