1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid

C15H15F3N2O2 — CID 130345703

IUPAC1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
SMILESNc1c2c(nc3ccccc13)CCCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14N2.C2HF3O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;3-2(4,5)1(6)7/h1,3,5,7H,2,4,6,8H2,(H2,14,15);(H,6,7)
InChIKeyCJTNVZRGZCAKDW-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.33
Rot. Bonds

About 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid

1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid (PubChem CID 130345703) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
PubChem CID130345703
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
SMILESNc1c2c(nc3ccccc13)CCCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14N2.C2HF3O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;3-2(4,5)1(6)7/h1,3,5,7H,2,4,6,8H2,(H2,14,15);(H,6,7)
InChIKeyCJTNVZRGZCAKDW-UHFFFAOYSA-N
XLogP3.33
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
CID 54109780
acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
CID 142881752
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
acridin-9-amine;λ2-plumbane
CID 173496858

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid (CID 130345703) is 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid is Nc1c2c(nc3ccccc13)CCCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CJTNVZRGZCAKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C2HF3O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;3-2(4,5)1(6)7/h1,3,5,7H,2,4,6,8H2,(H2,14,15);(H,6,7).
What are the key properties of 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid?
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid has a molecular weight of 312.29 g/mol, XLogP of 3.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130345703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).