[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine

C15H19F3N2O4 — CID 171558521

IUPAC[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
SMILESCC1(C)OC2[C@@H](CN)OC[C@H](Oc3cccc(C(F)(F)F)n3)[C@H]2O1
InChIInChI=1S/C15H19F3N2O4/c1-14(2)23-12-8(6-19)21-7-9(13(12)24-14)22-11-5-3-4-10(20-11)15(16,17)18/h3-5,8-9,12-13H,6-7,19H2,1-2H3/t8-,9+,12?,13-/m1/s1
InChIKeyXJECMCGFTKVDMS-CEWYYZTQSA-N
MW348.32 g/mol
LogP1.73
Rot. Bonds3

About [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine

[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine (PubChem CID 171558521) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine.

Molecular Properties

Compound Name[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
PubChem CID171558521
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Name[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
SMILESCC1(C)OC2[C@@H](CN)OC[C@H](Oc3cccc(C(F)(F)F)n3)[C@H]2O1
InChIInChI=1S/C15H19F3N2O4/c1-14(2)23-12-8(6-19)21-7-9(13(12)24-14)22-11-5-3-4-10(20-11)15(16,17)18/h3-5,8-9,12-13H,6-7,19H2,1-2H3/t8-,9+,12?,13-/m1/s1
InChIKeyXJECMCGFTKVDMS-CEWYYZTQSA-N
XLogP1.73
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine with MolForge

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Related Compounds

2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
(R)-6-(6-methylpyridin-2-yloxy)-1,4-oxazepane
CID 77059087
2-Methyl-6-(piperidin-4-yloxy)pyridine
CID 22499432
2-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyridine
CID 62347641
4-(Methoxymethyl)-2-(piperidin-4-yloxy)-6-(trifluoromethyl)pyridine
CID 69672897
2-Ethyl-6-(3-fluoropiperidin-4-yl)oxypyridine
CID 70855318
(7R,8aS)-7-[6-(trifluoromethyl)pyridin-2-yl]oxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 71547982
8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 123986837
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine
CID 137377885
2-[(2,2-Dimethyl-1,3-dioxol-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine
CID 141538006
2-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyridine hydrochloride
CID 165995244

Frequently Asked Questions

What is the IUPAC name of [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine?
The IUPAC name of [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine (CID 171558521) is [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine.
What is the SMILES notation for [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine?
The canonical SMILES for [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine is CC1(C)OC2[C@@H](CN)OC[C@H](Oc3cccc(C(F)(F)F)n3)[C@H]2O1.
What is the InChIKey of [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine?
The InChIKey is XJECMCGFTKVDMS-CEWYYZTQSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-14(2)23-12-8(6-19)21-7-9(13(12)24-14)22-11-5-3-4-10(20-11)15(16,17)18/h3-5,8-9,12-13H,6-7,19H2,1-2H3/t8-,9+,12?,13-/m1/s1.
What are the key properties of [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine?
[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine has a molecular weight of 348.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine is sourced from PubChem (CID 171558521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).