N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine

C10H11F3N2O — CID 178028056

IUPACN-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
SMILESC=C(c1ccc(C(F)(F)F)nc1)N(C)OC
InChIInChI=1S/C10H11F3N2O/c1-7(15(2)16-3)8-4-5-9(14-6-8)10(11,12)13/h4-6H,1H2,2-3H3
InChIKeyGTNIALOYUBTMGH-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.56
Rot. Bonds3

About N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine

N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine (PubChem CID 178028056) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
PubChem CID178028056
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC NameN-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
SMILESC=C(c1ccc(C(F)(F)F)nc1)N(C)OC
InChIInChI=1S/C10H11F3N2O/c1-7(15(2)16-3)8-4-5-9(14-6-8)10(11,12)13/h4-6H,1H2,2-3H3
InChIKeyGTNIALOYUBTMGH-UHFFFAOYSA-N
XLogP2.56
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
The IUPAC name of N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine (CID 178028056) is N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine.
What is the SMILES notation for N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
The canonical SMILES for N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine is C=C(c1ccc(C(F)(F)F)nc1)N(C)OC.
What is the InChIKey of N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
The InChIKey is GTNIALOYUBTMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-7(15(2)16-3)8-4-5-9(14-6-8)10(11,12)13/h4-6H,1H2,2-3H3.
What are the key properties of N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine has a molecular weight of 232.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine is sourced from PubChem (CID 178028056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).