2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine

C12H16F3NO — CID 145207209

IUPAC2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(COC)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8-4-5-9(11(16-2)7-17-3)6-10(8)12(13,14)15/h4-6,11,16H,7H2,1-3H3
InChIKeyJMMZLIUZOSCTFE-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.92
Rot. Bonds4

About 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine

2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 145207209) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID145207209
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(COC)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8-4-5-9(11(16-2)7-17-3)6-10(8)12(13,14)15/h4-6,11,16H,7H2,1-3H3
InChIKeyJMMZLIUZOSCTFE-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine (CID 145207209) is 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine is CNC(COC)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JMMZLIUZOSCTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8-4-5-9(11(16-2)7-17-3)6-10(8)12(13,14)15/h4-6,11,16H,7H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine?
2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 145207209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).