2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide

C12H15F3N2O2 — CID 79797184

IUPAC2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
SMILESCOCc1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(16,12(13,14)15)10(18)17-9-6-4-3-5-8(9)7-19-2/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyFFENSEDHAZMFSX-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide (PubChem CID 79797184) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
PubChem CID79797184
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
SMILESCOCc1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(16,12(13,14)15)10(18)17-9-6-4-3-5-8(9)7-19-2/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyFFENSEDHAZMFSX-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-[2-(methoxymethyl)phenyl]propanamide
CID 54924986
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CID 79797089
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 79805032
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453
2-amino-3,3,3-trifluoro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 79797297
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
2-amino-3,3,3-trifluoro-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79811044
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide (CID 79797184) is 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide is COCc1ccccc1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide?
The InChIKey is FFENSEDHAZMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(16,12(13,14)15)10(18)17-9-6-4-3-5-8(9)7-19-2/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide has a molecular weight of 276.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 79797184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).