9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol

C14H13F3N2O — CID 3025608

IUPAC9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol
SMILESNc1c2c(nc3cc(C(F)(F)F)ccc13)CCCC2O
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)7-4-5-8-10(6-7)19-9-2-1-3-11(20)12(9)13(8)18/h4-6,11,20H,1-3H2,(H2,18,19)
InChIKeyZHFXMERFRYSFFB-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.21
Rot. Bonds

About 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol

9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025608) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025608
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol
SMILESNc1c2c(nc3cc(C(F)(F)F)ccc13)CCCC2O
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)7-4-5-8-10(6-7)19-9-2-1-3-11(20)12(9)13(8)18/h4-6,11,20H,1-3H2,(H2,18,19)
InChIKeyZHFXMERFRYSFFB-UHFFFAOYSA-N
XLogP3.21
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol (CID 3025608) is 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol is Nc1c2c(nc3cc(C(F)(F)F)ccc13)CCCC2O.
What is the InChIKey of 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is ZHFXMERFRYSFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)7-4-5-8-10(6-7)19-9-2-1-3-11(20)12(9)13(8)18/h4-6,11,20H,1-3H2,(H2,18,19).
What are the key properties of 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol?
9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 282.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).