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

C15H17Cl2NO2S — CID 62841532

IUPAC1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1c(Cl)cccc1Cl)c1ccsc1
InChIInChI=1S/C15H17Cl2NO2S/c1-10(11-5-6-21-9-11)18-7-12(19)8-20-15-13(16)3-2-4-14(15)17/h2-6,9-10,12,18-19H,7-8H2,1H3
InChIKeySATYFYFSLYRGIT-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.15
Rot. Bonds7

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

1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 62841532) has the molecular formula C15H17Cl2NO2S and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID62841532
Molecular FormulaC15H17Cl2NO2S
Molecular Weight346.28 g/mol
Exact Mass345.04
IUPAC Name1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1c(Cl)cccc1Cl)c1ccsc1
InChIInChI=1S/C15H17Cl2NO2S/c1-10(11-5-6-21-9-11)18-7-12(19)8-20-15-13(16)3-2-4-14(15)17/h2-6,9-10,12,18-19H,7-8H2,1H3
InChIKeySATYFYFSLYRGIT-UHFFFAOYSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840500
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 62841532) is 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is CC(NCC(O)COc1c(Cl)cccc1Cl)c1ccsc1.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is SATYFYFSLYRGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2S/c1-10(11-5-6-21-9-11)18-7-12(19)8-20-15-13(16)3-2-4-14(15)17/h2-6,9-10,12,18-19H,7-8H2,1H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol has a molecular weight of 346.28 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 62841532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).