2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O2 — CID 107655696

IUPAC2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CN)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-2-3-9(5-16)4-10(8)19-6-11(18)17-7-12(13,14)15/h2-4H,5-7,16H2,1H3,(H,17,18)
InChIKeyQTJRDSWWFZDMHG-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.51
Rot. Bonds5

About 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107655696) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107655696
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CN)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-2-3-9(5-16)4-10(8)19-6-11(18)17-7-12(13,14)15/h2-4H,5-7,16H2,1H3,(H,17,18)
InChIKeyQTJRDSWWFZDMHG-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 107655696) is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(CN)cc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QTJRDSWWFZDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-2-3-9(5-16)4-10(8)19-6-11(18)17-7-12(13,14)15/h2-4H,5-7,16H2,1H3,(H,17,18).
What are the key properties of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107655696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).