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

C9H11F3N2O — CID 131266022

IUPAC[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(OC(F)(F)F)nc(C)c1CN
InChIInChI=1S/C9H11F3N2O/c1-5-3-8(15-9(10,11)12)14-6(2)7(5)4-13/h3H,4,13H2,1-2H3
InChIKeyKLJHKSKRAKKRLM-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.06
Rot. Bonds2

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

[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 131266022) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID131266022
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(OC(F)(F)F)nc(C)c1CN
InChIInChI=1S/C9H11F3N2O/c1-5-3-8(15-9(10,11)12)14-6(2)7(5)4-13/h3H,4,13H2,1-2H3
InChIKeyKLJHKSKRAKKRLM-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

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Related Compounds

2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133085515
[2-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093233
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112748
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
CID 130113330
[6-(2,3-difluorophenoxy)-2,4-dimethyl-3-pyridinyl]methanamine
CID 161169292
ethyl 2-[3-iodo-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659970

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 131266022) is [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine is Cc1cc(OC(F)(F)F)nc(C)c1CN.
What is the InChIKey of [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is KLJHKSKRAKKRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-3-8(15-9(10,11)12)14-6(2)7(5)4-13/h3H,4,13H2,1-2H3.
What are the key properties of [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
[2,4-dimethyl-6-(trifluoromethoxy)-3-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 [2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 131266022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).