2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C12H15F3N2O2 — CID 79463391

IUPAC2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESNCCOCC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)10-3-1-2-9(6-10)7-17-11(18)8-19-5-4-16/h1-3,6H,4-5,7-8,16H2,(H,17,18)
InChIKeyMIZQQPBJOMNPMC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.30
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 79463391) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID79463391
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESNCCOCC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)10-3-1-2-9(6-10)7-17-11(18)8-19-5-4-16/h1-3,6H,4-5,7-8,16H2,(H,17,18)
InChIKeyMIZQQPBJOMNPMC-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chlorobenzoate
CID 46860400
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 50929609
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 2-methylbenzoate
CID 46860424
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241530
2-(2-phenylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871382
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 3-methylthiophene-2-carboxylate
CID 50929627
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 79463391) is 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is NCCOCC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is MIZQQPBJOMNPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)10-3-1-2-9(6-10)7-17-11(18)8-19-5-4-16/h1-3,6H,4-5,7-8,16H2,(H,17,18).
What are the key properties of 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 79463391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).