1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol

C14H16ClNO2S — CID 60633223

IUPAC1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccs1)COc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO2S/c15-11-3-1-4-13(7-11)18-10-12(17)8-16-9-14-5-2-6-19-14/h1-7,12,16-17H,8-10H2
InChIKeyJBZXIZIJUYNGCS-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.93
Rot. Bonds7

About 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol

1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol (PubChem CID 60633223) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
PubChem CID60633223
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccs1)COc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO2S/c15-11-3-1-4-13(7-11)18-10-12(17)8-16-9-14-5-2-6-19-14/h1-7,12,16-17H,8-10H2
InChIKeyJBZXIZIJUYNGCS-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632931
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-(3-chlorophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729480
6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
CID 10019540
2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
1-(3-chlorophenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211470
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol (CID 60633223) is 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol is OC(CNCc1cccs1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
The InChIKey is JBZXIZIJUYNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c15-11-3-1-4-13(7-11)18-10-12(17)8-16-9-14-5-2-6-19-14/h1-7,12,16-17H,8-10H2.
What are the key properties of 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol?
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol has a molecular weight of 297.81 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).