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

C21H19F3N2O — CID 3025626

IUPAC9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)14-6-3-5-13(11-14)12-25-20-15-7-1-2-8-16(15)26-17-9-4-10-18(27)19(17)20/h1-3,5-8,11,18,27H,4,9-10,12H2,(H,25,26)
InChIKeyBCLCATIAJDFAPY-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.24
Rot. Bonds3

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

9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025626) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025626
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)14-6-3-5-13(11-14)12-25-20-15-7-1-2-8-16(15)26-17-9-4-10-18(27)19(17)20/h1-3,5-8,11,18,27H,4,9-10,12H2,(H,25,26)
InChIKeyBCLCATIAJDFAPY-UHFFFAOYSA-N
XLogP5.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025626) is 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21.
What is the InChIKey of 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is BCLCATIAJDFAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c22-21(23,24)14-6-3-5-13(11-14)12-25-20-15-7-1-2-8-16(15)26-17-9-4-10-18(27)19(17)20/h1-3,5-8,11,18,27H,4,9-10,12H2,(H,25,26).
What are the key properties of 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 372.39 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).