2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

C12H15F3N2O2 — CID 119278540

IUPAC2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(N)C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8(16)11(18)17(2)7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,8H,7,16H2,1-2H3
InChIKeyOILAGUDUHGDYTC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 119278540) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID119278540
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(N)C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8(16)11(18)17(2)7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,8H,7,16H2,1-2H3
InChIKeyOILAGUDUHGDYTC-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-2-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120666980
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
(2S)-2-amino-N-[(2-iodophenyl)methyl]-N-methylpropanamide
CID 66568428
(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497
N-methyl-2-(4-methylphenyl)-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 47021295
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 38274296

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 119278540) is 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is CC(N)C(=O)N(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is OILAGUDUHGDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(16)11(18)17(2)7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,8H,7,16H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 119278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).