N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride

C11H16ClF3N2O — CID 67509330

IUPACN-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride
SMILESCNC(C)c1cnc(OCC(F)(F)F)c(C)c1.Cl
InChIInChI=1S/C11H15F3N2O.ClH/c1-7-4-9(8(2)15-3)5-16-10(7)17-6-11(12,13)14;/h4-5,8,15H,6H2,1-3H3;1H
InChIKeyDQQFHXNTQAMHKT-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride

N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride (PubChem CID 67509330) has the molecular formula C11H16ClF3N2O and a molecular weight of 284.71 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride
PubChem CID67509330
Molecular FormulaC11H16ClF3N2O
Molecular Weight284.71 g/mol
Exact Mass284.09
IUPAC NameN-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride
SMILESCNC(C)c1cnc(OCC(F)(F)F)c(C)c1.Cl
InChIInChI=1S/C11H15F3N2O.ClH/c1-7-4-9(8(2)15-3)5-16-10(7)17-6-11(12,13)14;/h4-5,8,15H,6H2,1-3H3;1H
InChIKeyDQQFHXNTQAMHKT-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride (CID 67509330) is N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride is CNC(C)c1cnc(OCC(F)(F)F)c(C)c1.Cl.
What is the InChIKey of N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride?
The InChIKey is DQQFHXNTQAMHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O.ClH/c1-7-4-9(8(2)15-3)5-16-10(7)17-6-11(12,13)14;/h4-5,8,15H,6H2,1-3H3;1H.
What are the key properties of N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride?
N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride has a molecular weight of 284.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride is sourced from PubChem (CID 67509330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).