6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol

C21H18F4N2O — CID 3025625

IUPAC6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c21
InChIInChI=1S/C21H18F4N2O/c22-13-8-9-14-17(10-13)27-16-6-3-7-18(28)19(16)20(14)26-11-12-4-1-2-5-15(12)21(23,24)25/h1-2,4-5,8-10,18,28H,3,6-7,11H2,(H,26,27)
InChIKeyLSWZHJUDTDSZPN-UHFFFAOYSA-N
MW390.38 g/mol
LogP5.37
Rot. Bonds3

About 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol

6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025625) has the molecular formula C21H18F4N2O and a molecular weight of 390.38 g/mol. Its IUPAC name is 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025625
Molecular FormulaC21H18F4N2O
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC Name6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c21
InChIInChI=1S/C21H18F4N2O/c22-13-8-9-14-17(10-13)27-16-6-3-7-18(28)19(16)20(14)26-11-12-4-1-2-5-15(12)21(23,24)25/h1-2,4-5,8-10,18,28H,3,6-7,11H2,(H,26,27)
InChIKeyLSWZHJUDTDSZPN-UHFFFAOYSA-N
XLogP5.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.38
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025625) is 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c21.
What is the InChIKey of 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is LSWZHJUDTDSZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O/c22-13-8-9-14-17(10-13)27-16-6-3-7-18(28)19(16)20(14)26-11-12-4-1-2-5-15(12)21(23,24)25/h1-2,4-5,8-10,18,28H,3,6-7,11H2,(H,26,27).
What are the key properties of 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 390.38 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).