[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine

C9H11F3N2O — CID 131527479

IUPAC[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCc1cc(CN)c(C)c(OC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-5-3-7(4-13)6(2)8(14-5)15-9(10,11)12/h3H,4,13H2,1-2H3
InChIKeyQQJBNFQVRZFLPX-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.06
Rot. Bonds2

About [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine

[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 131527479) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID131527479
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCc1cc(CN)c(C)c(OC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-5-3-7(4-13)6(2)8(14-5)15-9(10,11)12/h3H,4,13H2,1-2H3
InChIKeyQQJBNFQVRZFLPX-UHFFFAOYSA-N
XLogP2.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine 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

4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086177
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
2-[3-(chloromethyl)-6-methyl-2-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094313

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 131527479) is [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine is Cc1cc(CN)c(C)c(OC(F)(F)F)n1.
What is the InChIKey of [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is QQJBNFQVRZFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-3-7(4-13)6(2)8(14-5)15-9(10,11)12/h3H,4,13H2,1-2H3.
What are the key properties of [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 220.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 131527479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).