N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine

C13H19F3N2O2 — CID 102719725

IUPACN-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C13H19F3N2O2/c1-4-17-11-7-10(13(14,15)16)8-12(18-11)20-6-5-19-9(2)3/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyDOEZNDLGCOHHEF-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.34
Rot. Bonds7

About N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719725) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719725
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C13H19F3N2O2/c1-4-17-11-7-10(13(14,15)16)8-12(18-11)20-6-5-19-9(2)3/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyDOEZNDLGCOHHEF-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719725) is N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(OCCOC(C)C)n1.
What is the InChIKey of N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DOEZNDLGCOHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-4-17-11-7-10(13(14,15)16)8-12(18-11)20-6-5-19-9(2)3/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.30 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).