N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N2O2 — CID 102719988

IUPACN-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCOCCOc1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C12H17F3N2O2/c1-3-4-18-5-6-19-11-8-9(12(13,14)15)7-10(16-2)17-11/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyHFPBKHCARDCTEG-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.95
Rot. Bonds7

About N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719988) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719988
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCOCCOc1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C12H17F3N2O2/c1-3-4-18-5-6-19-11-8-9(12(13,14)15)7-10(16-2)17-11/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyHFPBKHCARDCTEG-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649
6-(1-methoxypropan-2-yloxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719982
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719634
N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719626
6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941132
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721220
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
N-methyl-6-(2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719830

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719988) is N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCCOCCOc1cc(C(F)(F)F)cc(NC)n1.
What is the InChIKey of N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HFPBKHCARDCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-3-4-18-5-6-19-11-8-9(12(13,14)15)7-10(16-2)17-11/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.27 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).