2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine

C9H11F3N2O — CID 167442979

IUPAC2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCOc1ncc(CCN)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-15-8-7(9(10,11)12)4-6(2-3-13)5-14-8/h4-5H,2-3,13H2,1H3
InChIKeyHTXNEXLROBHRML-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.61
Rot. Bonds3

About 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine

2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 167442979) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID167442979
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCOc1ncc(CCN)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-15-8-7(9(10,11)12)4-6(2-3-13)5-14-8/h4-5H,2-3,13H2,1H3
InChIKeyHTXNEXLROBHRML-UHFFFAOYSA-N
XLogP1.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine 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-methoxy-5-propyl-3-(trifluoromethyl)pyridine
CID 168920568
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 167442924
(2S)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 167442820
[1-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194663
(5-fluoro-6-methoxy-3-pyridinyl)methanamine
CID 58258904
2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 106796783
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 67509821
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
CID 84681003

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 167442979) is 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine is COc1ncc(CCN)cc1C(F)(F)F.
What is the InChIKey of 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is HTXNEXLROBHRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-15-8-7(9(10,11)12)4-6(2-3-13)5-14-8/h4-5H,2-3,13H2,1H3.
What are the key properties of 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 220.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 167442979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).