1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol

C14H15Cl2NO2S — CID 60632969

IUPAC1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccs1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c15-10-3-4-14(13(16)6-10)19-9-11(18)7-17-8-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2
InChIKeyNIYAVVGLUPYZGA-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.58
Rot. Bonds7

About 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol (PubChem CID 60632969) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
PubChem CID60632969
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccs1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c15-10-3-4-14(13(16)6-10)19-9-11(18)7-17-8-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2
InChIKeyNIYAVVGLUPYZGA-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-(3-bromophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632931
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106401068

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol (CID 60632969) is 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol is OC(CNCc1cccs1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The InChIKey is NIYAVVGLUPYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c15-10-3-4-14(13(16)6-10)19-9-11(18)7-17-8-12-2-1-5-20-12/h1-6,11,17-18H,7-9H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol has a molecular weight of 332.25 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60632969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).