2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide

C12H15F3N2O3 — CID 106236424

IUPAC2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)20-10-3-1-2-9(6-10)7-17-4-5-19-8-11(16)18/h1-3,6,17H,4-5,7-8H2,(H2,16,18)
InChIKeyPVKGSRXMRWJXNE-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.18
Rot. Bonds8

About 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide

2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide (PubChem CID 106236424) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
PubChem CID106236424
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)20-10-3-1-2-9(6-10)7-17-4-5-19-8-11(16)18/h1-3,6,17H,4-5,7-8H2,(H2,16,18)
InChIKeyPVKGSRXMRWJXNE-UHFFFAOYSA-N
XLogP1.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
2-(2,2-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
CID 106234983
2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanesulfonamide
CID 107104428
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide (CID 106236424) is 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide?
The InChIKey is PVKGSRXMRWJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)20-10-3-1-2-9(6-10)7-17-4-5-19-8-11(16)18/h1-3,6,17H,4-5,7-8H2,(H2,16,18).
What are the key properties of 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide?
2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide has a molecular weight of 292.26 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide is sourced from PubChem (CID 106236424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).