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

C13H18F3NOS — CID 60685941

IUPAC2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
SMILESCCN(CCO)CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NOS/c1-2-17(6-8-18)7-9-19-12-5-3-4-11(10-12)13(14,15)16/h3-5,10,18H,2,6-9H2,1H3
InChIKeyBTMZVVONBJBGKA-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.11
Rot. Bonds7

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

2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol (PubChem CID 60685941) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
PubChem CID60685941
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
SMILESCCN(CCO)CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NOS/c1-2-17(6-8-18)7-9-19-12-5-3-4-11(10-12)13(14,15)16/h3-5,10,18H,2,6-9H2,1H3
InChIKeyBTMZVVONBJBGKA-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol (CID 60685941) is 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol is CCN(CCO)CCSc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
The InChIKey is BTMZVVONBJBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-17(6-8-18)7-9-19-12-5-3-4-11(10-12)13(14,15)16/h3-5,10,18H,2,6-9H2,1H3.
What are the key properties of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol?
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol has a molecular weight of 293.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol is sourced from PubChem (CID 60685941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).