4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine

C12H17F3N2O3 — CID 106748589

IUPAC4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine
SMILESCOCCCOCCOc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H17F3N2O3/c1-18-3-2-4-19-5-6-20-10-7-11(12(13,14)15)17-8-9(10)16/h7-8H,2-6,16H2,1H3
InChIKeyHYTATKGQEMXOQT-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.11
Rot. Bonds8

About 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine

4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748589) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748589
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine
SMILESCOCCCOCCOc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H17F3N2O3/c1-18-3-2-4-19-5-6-20-10-7-11(12(13,14)15)17-8-9(10)16/h7-8H,2-6,16H2,1H3
InChIKeyHYTATKGQEMXOQT-UHFFFAOYSA-N
XLogP2.11
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine (CID 106748589) is 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine is COCCCOCCOc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is HYTATKGQEMXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-18-3-2-4-19-5-6-20-10-7-11(12(13,14)15)17-8-9(10)16/h7-8H,2-6,16H2,1H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine?
4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 294.27 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).