2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C14H14F3NOS — CID 60970343

IUPAC2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)12-3-1-2-11(6-12)13(19)8-18-7-10-4-5-20-9-10/h1-6,9,13,18-19H,7-8H2
InChIKeyXOJHOPCKTGZLIT-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.59
Rot. Bonds5

About 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 60970343) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID60970343
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)12-3-1-2-11(6-12)13(19)8-18-7-10-4-5-20-9-10/h1-6,9,13,18-19H,7-8H2
InChIKeyXOJHOPCKTGZLIT-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 60970343) is 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccsc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XOJHOPCKTGZLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c15-14(16,17)12-3-1-2-11(6-12)13(19)8-18-7-10-4-5-20-9-10/h1-6,9,13,18-19H,7-8H2.
What are the key properties of 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 301.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60970343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).