1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol

C17H23NO4S — CID 138959128

IUPAC1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
SMILESCOc1cccc(OC)c1OCC(O)CNC(C)c1cccs1
InChIInChI=1S/C17H23NO4S/c1-12(16-8-5-9-23-16)18-10-13(19)11-22-17-14(20-2)6-4-7-15(17)21-3/h4-9,12-13,18-19H,10-11H2,1-3H3
InChIKeyDNGOTSPAUZDELU-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.86
Rot. Bonds9

About 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol

1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol (PubChem CID 138959128) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
PubChem CID138959128
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
SMILESCOc1cccc(OC)c1OCC(O)CNC(C)c1cccs1
InChIInChI=1S/C17H23NO4S/c1-12(16-8-5-9-23-16)18-10-13(19)11-22-17-14(20-2)6-4-7-15(17)21-3/h4-9,12-13,18-19H,10-11H2,1-3H3
InChIKeyDNGOTSPAUZDELU-UHFFFAOYSA-N
XLogP2.86
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959141
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol (CID 138959128) is 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol is COc1cccc(OC)c1OCC(O)CNC(C)c1cccs1.
What is the InChIKey of 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The InChIKey is DNGOTSPAUZDELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-12(16-8-5-9-23-16)18-10-13(19)11-22-17-14(20-2)6-4-7-15(17)21-3/h4-9,12-13,18-19H,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol?
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol has a molecular weight of 337.44 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 138959128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).