1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol

C14H14F3NO2S — CID 103685294

IUPAC1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
SMILESOC(CNCc1cccc(OC(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H14F3NO2S/c15-14(16,17)20-12-3-1-2-10(6-12)7-18-8-13(19)11-4-5-21-9-11/h1-6,9,13,18-19H,7-8H2
InChIKeyRXNBUGYQDWTFTR-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.47
Rot. Bonds6

About 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol

1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol (PubChem CID 103685294) has the molecular formula C14H14F3NO2S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
PubChem CID103685294
Molecular FormulaC14H14F3NO2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
SMILESOC(CNCc1cccc(OC(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H14F3NO2S/c15-14(16,17)20-12-3-1-2-10(6-12)7-18-8-13(19)11-4-5-21-9-11/h1-6,9,13,18-19H,7-8H2
InChIKeyRXNBUGYQDWTFTR-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 111467090
1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 110930765
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol (CID 103685294) is 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol is OC(CNCc1cccc(OC(F)(F)F)c1)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol?
The InChIKey is RXNBUGYQDWTFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S/c15-14(16,17)20-12-3-1-2-10(6-12)7-18-8-13(19)11-4-5-21-9-11/h1-6,9,13,18-19H,7-8H2.
What are the key properties of 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol?
1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol has a molecular weight of 317.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 103685294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).