N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C25H23F3N2 — CID 46230710

IUPACN-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C25H23F3N2/c1-17(15-18-7-6-8-19(16-18)25(26,27)28)29-14-13-20-21-9-2-4-11-23(21)30-24-12-5-3-10-22(20)24/h2-12,16-17,29H,13-15H2,1H3
InChIKeyRDWJWBQMJVBZRY-UHFFFAOYSA-N
MW408.47 g/mol
LogP6.17
Rot. Bonds6

About N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 46230710) has the molecular formula C25H23F3N2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID46230710
Molecular FormulaC25H23F3N2
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C25H23F3N2/c1-17(15-18-7-6-8-19(16-18)25(26,27)28)29-14-13-20-21-9-2-4-11-23(21)30-24-12-5-3-10-22(20)24/h2-12,16-17,29H,13-15H2,1H3
InChIKeyRDWJWBQMJVBZRY-UHFFFAOYSA-N
XLogP6.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 46230710) is N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CC(Cc1cccc(C(F)(F)F)c1)NCCc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is RDWJWBQMJVBZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2/c1-17(15-18-7-6-8-19(16-18)25(26,27)28)29-14-13-20-21-9-2-4-11-23(21)30-24-12-5-3-10-22(20)24/h2-12,16-17,29H,13-15H2,1H3.
What are the key properties of N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 408.47 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 46230710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).