5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine

C19H19F3N2O — CID 11989790

IUPAC5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine
SMILESNC1COC2c3cc(C(F)(F)F)ccc3NC(c3ccccc3)C2C1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)12-6-7-16-14(8-12)18-15(9-13(23)10-25-18)17(24-16)11-4-2-1-3-5-11/h1-8,13,15,17-18,24H,9-10,23H2
InChIKeyQWZVOVGOYFHPBG-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.28
Rot. Bonds1

About 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine

5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine (PubChem CID 11989790) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine.

Molecular Properties

Compound Name5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine
PubChem CID11989790
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine
SMILESNC1COC2c3cc(C(F)(F)F)ccc3NC(c3ccccc3)C2C1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)12-6-7-16-14(8-12)18-15(9-13(23)10-25-18)17(24-16)11-4-2-1-3-5-11/h1-8,13,15,17-18,24H,9-10,23H2
InChIKeyQWZVOVGOYFHPBG-UHFFFAOYSA-N
XLogP4.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine?
The IUPAC name of 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine (CID 11989790) is 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine.
What is the SMILES notation for 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine?
The canonical SMILES for 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine is NC1COC2c3cc(C(F)(F)F)ccc3NC(c3ccccc3)C2C1.
What is the InChIKey of 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine?
The InChIKey is QWZVOVGOYFHPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)12-6-7-16-14(8-12)18-15(9-13(23)10-25-18)17(24-16)11-4-2-1-3-5-11/h1-8,13,15,17-18,24H,9-10,23H2.
What are the key properties of 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine?
5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine has a molecular weight of 348.37 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-amine is sourced from PubChem (CID 11989790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).