N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine

C14H19F3N2O2 — CID 122156197

IUPACN-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCCCOC2CCOCC2)ccn1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)13-10-11(2-6-19-13)18-5-1-7-21-12-3-8-20-9-4-12/h2,6,10,12H,1,3-5,7-9H2,(H,18,19)
InChIKeyCJQSTQVDBMMTJH-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.10
Rot. Bonds6

About N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine

N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 122156197) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID122156197
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCCCOC2CCOCC2)ccn1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)13-10-11(2-6-19-13)18-5-1-7-21-12-3-8-20-9-4-12/h2,6,10,12H,1,3-5,7-9H2,(H,18,19)
InChIKeyCJQSTQVDBMMTJH-UHFFFAOYSA-N
XLogP3.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.10
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

N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133402360
3-fluoro-N-[2-(oxan-4-yloxy)ethyl]aniline
CID 55093412
3-bromo-N-[2-(oxan-4-yloxy)ethyl]aniline
CID 62583480
2-[3-(oxan-4-yloxy)propylamino]pyrimidine-4-carboxylic acid
CID 166331121
N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
CID 114270158
2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055811
N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine
CID 90802714
5-nitro-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71996258
4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
CID 133454965
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine
CID 113482690
2-methyl-1-[3-(oxan-4-yloxy)propyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111667498
N-[1-[3-[4-(4-tert-butylanilino)piperidin-1-yl]propyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine
CID 91015942

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine (CID 122156197) is N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCCCOC2CCOCC2)ccn1.
What is the InChIKey of N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is CJQSTQVDBMMTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)13-10-11(2-6-19-13)18-5-1-7-21-12-3-8-20-9-4-12/h2,6,10,12H,1,3-5,7-9H2,(H,18,19).
What are the key properties of N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 304.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 122156197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).