N,N-dimethyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

CAS No.：

Cat. No.: SC251530

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Product Name :N,N-dimethyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Cat. No.: :SC251530

Purity / Specification :—

CAS No. :56225-81-1

MDL No. :—

Molecular Formula :C₁₈H₂₀F₃NO

LogP :4.50

Molecular Weight :323.36

TPSA :12.5

Category :API Impurities

HSN Code :—

SMILES Code :CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

Melting Point :—

InChI Key : :QUFZVVNFYXEIAK-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 323.4 Da

LogP ≤ 5✓ 4.50

HBD ≤ 5✓ 0

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

66/100

Moderate — typical building block

Predicted LogP

4.50log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 12.5Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.