2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O3 — CID 61492602

IUPAC2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCc1ccc(OCC(=O)NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H17F3N2O3/c1-17-6-9-3-4-10(11(5-9)20-2)21-7-12(19)18-8-13(14,15)16/h3-5,17H,6-8H2,1-2H3,(H,18,19)
InChIKeyVAPIGLYVLYQGGD-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492602) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492602
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCc1ccc(OCC(=O)NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H17F3N2O3/c1-17-6-9-3-4-10(11(5-9)20-2)21-7-12(19)18-8-13(14,15)16/h3-5,17H,6-8H2,1-2H3,(H,18,19)
InChIKeyVAPIGLYVLYQGGD-UHFFFAOYSA-N
XLogP1.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 61487445
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492602) is 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is CNCc1ccc(OCC(=O)NCC(F)(F)F)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VAPIGLYVLYQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-17-6-9-3-4-10(11(5-9)20-2)21-7-12(19)18-8-13(14,15)16/h3-5,17H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).