2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol

C12H16F3NOS — CID 60683649

IUPAC2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
SMILESCN(CCO)CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NOS/c1-16(5-7-17)6-8-18-11-4-2-3-10(9-11)12(13,14)15/h2-4,9,17H,5-8H2,1H3
InChIKeyAFKPPNJUUHWOCY-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.72
Rot. Bonds6

About 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol

2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol (PubChem CID 60683649) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
PubChem CID60683649
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
SMILESCN(CCO)CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NOS/c1-16(5-7-17)6-8-18-11-4-2-3-10(9-11)12(13,14)15/h2-4,9,17H,5-8H2,1H3
InChIKeyAFKPPNJUUHWOCY-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol (CID 60683649) is 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol is CN(CCO)CCSc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
The InChIKey is AFKPPNJUUHWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-16(5-7-17)6-8-18-11-4-2-3-10(9-11)12(13,14)15/h2-4,9,17H,5-8H2,1H3.
What are the key properties of 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol has a molecular weight of 279.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol is sourced from PubChem (CID 60683649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).