1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-N,N-dimethylmethanamine

CAS No.：

Cat. No.: SC25888

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Product Name :1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-N,N-dimethylmethanamine

Cat. No.: :SC25888

Purity / Specification :—

CAS No. :63405-50-5

MDL No. :—

Molecular Formula :C₁₈H₂₄N₂

LogP :3.20

Molecular Weight :268.40

TPSA :6.5

Category :Building Blocks

HSN Code :—

SMILES Code :CN(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)CN(C)C

Melting Point :—

InChI Key : :SHOGGUIWMZFVFY-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✓ 268.4 Da

LogP ≤ 5✓ 3.20

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

3.20log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 6.5Å² · 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.