N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H15F3N2O — CID 103215250

IUPACN-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1ccc(C)nc1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-9(5-16-8)10(15-2)6-17-7-11(12,13)14/h3-5,10,15H,6-7H2,1-2H3
InChIKeyQCSUQMURBNNDQJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215250) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215250
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1ccc(C)nc1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-9(5-16-8)10(15-2)6-17-7-11(12,13)14/h3-5,10,15H,6-7H2,1-2H3
InChIKeyQCSUQMURBNNDQJ-UHFFFAOYSA-N
XLogP2.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214652
3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 103027120
1-(3-bromo-4-propoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207950
2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155527
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215345
3-(2-methoxyethoxy)-N-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102928103
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104822357
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215250) is N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1ccc(C)nc1.
What is the InChIKey of N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QCSUQMURBNNDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-3-4-9(5-16-8)10(15-2)6-17-7-11(12,13)14/h3-5,10,15H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 248.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).