3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane

C21H30F4N2O2 — CID 144796137

IUPAC3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane
SMILESCC.CCC.COc1ccc(C(O)(CN)C(F)(F)F)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C16H16F4N2O2.C3H8.C2H6/c1-9-7-10(3-4-11(9)17)14-12(24-2)5-6-13(22-14)15(23,8-21)16(18,19)20;1-3-2;1-2/h3-7,23H,8,21H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeySHNQXHMPLFGISP-UHFFFAOYSA-N
MW418.48 g/mol
LogP5.36
Rot. Bonds4

About 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane

3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane (PubChem CID 144796137) has the molecular formula C21H30F4N2O2 and a molecular weight of 418.48 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane
PubChem CID144796137
Molecular FormulaC21H30F4N2O2
Molecular Weight418.48 g/mol
Exact Mass418.22
IUPAC Name3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane
SMILESCC.CCC.COc1ccc(C(O)(CN)C(F)(F)F)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C16H16F4N2O2.C3H8.C2H6/c1-9-7-10(3-4-11(9)17)14-12(24-2)5-6-13(22-14)15(23,8-21)16(18,19)20;1-3-2;1-2/h3-7,23H,8,21H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeySHNQXHMPLFGISP-UHFFFAOYSA-N
XLogP5.36
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane with MolForge

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Related Compounds

(2R)-2-[[6-(3,4-difluoro-5-methoxyphenyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312869
(2R)-2-[[3-fluoro-6-[3-(trifluoromethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312486
2-[2-(4-Methoxyphenyl)ethyl]-6-methylpyridin-3-ol
CID 741110
2-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]ethanol
CID 172440707
3-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172451577
3-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172464980
2-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]ethanol
CID 172468583
2-(3,6-Dimethoxy-5-(4,4,4-trifluorobutyl)pyridin-2-yl)ethan-1-amine
CID 169246542
2-(3,6-Dimethoxy-5-(6,6,6-trifluorohexyl)pyridin-2-yl)ethan-1-amine
CID 169246619
2-(Tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
CID 21428403
2-Amino-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
CID 134990468
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methylpyridin-2-yl)methyl]pentan-2-ol
CID 10126489

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane (CID 144796137) is 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane is CC.CCC.COc1ccc(C(O)(CN)C(F)(F)F)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane?
The InChIKey is SHNQXHMPLFGISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O2.C3H8.C2H6/c1-9-7-10(3-4-11(9)17)14-12(24-2)5-6-13(22-14)15(23,8-21)16(18,19)20;1-3-2;1-2/h3-7,23H,8,21H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane?
3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane has a molecular weight of 418.48 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-2-ol;ethane;propane is sourced from PubChem (CID 144796137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).