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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-[[(2S)-azetidin-2-yl]methoxy]-5-propylpyridine
CID 44327092
3-[[(2S)-azetidin-2-yl]methoxy]-5-ethylpyridine
CID 44327414
(4-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2960264
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
(6-(2-Methoxyethoxy)pyridin-3-yl)methanamine
CID 20113673
US11045457, Example 91
CID 146401824
US11045457, Example 205
CID 146401898
US11045457, Example 101
CID 146401948
US11045457, Example 214
CID 146402039

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).