2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide

C13H17F3N2O2 — CID 94399881

IUPAC2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C[C@@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-17-12(20)8-18(2)7-11(19)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyXTNCVSNFVQGVII-LLVKDONJSA-N
MW290.29 g/mol
LogP1.42
Rot. Bonds5

About 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide

2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide (PubChem CID 94399881) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
PubChem CID94399881
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C[C@@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-17-12(20)8-18(2)7-11(19)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyXTNCVSNFVQGVII-LLVKDONJSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
CID 71911336
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 60524200
1-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 83225619

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide (CID 94399881) is 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C[C@@H](O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide?
The InChIKey is XTNCVSNFVQGVII-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-17-12(20)8-18(2)7-11(19)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide?
2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide has a molecular weight of 290.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 94399881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).