2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine

C14H20F3NO2 — CID 58563387

IUPAC2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine
SMILESCOCCN(C)Cc1cc(C(F)(F)F)cc(C)c1OC
InChIInChI=1S/C14H20F3NO2/c1-10-7-12(14(15,16)17)8-11(13(10)20-4)9-18(2)5-6-19-3/h7-8H,5-6,9H2,1-4H3
InChIKeyURPKSDUDTGUEBS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.10
Rot. Bonds6

About 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine

2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine (PubChem CID 58563387) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine
PubChem CID58563387
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine
SMILESCOCCN(C)Cc1cc(C(F)(F)F)cc(C)c1OC
InChIInChI=1S/C14H20F3NO2/c1-10-7-12(14(15,16)17)8-11(13(10)20-4)9-18(2)5-6-19-3/h7-8H,5-6,9H2,1-4H3
InChIKeyURPKSDUDTGUEBS-UHFFFAOYSA-N
XLogP3.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine?
The IUPAC name of 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine (CID 58563387) is 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine?
The canonical SMILES for 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine is COCCN(C)Cc1cc(C(F)(F)F)cc(C)c1OC.
What is the InChIKey of 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine?
The InChIKey is URPKSDUDTGUEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10-7-12(14(15,16)17)8-11(13(10)20-4)9-18(2)5-6-19-3/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine?
2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-methylethanamine is sourced from PubChem (CID 58563387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).