N-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropanamine

CAS No.：

Cat. No.: SC25855

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Product Name :N-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropanamine

Cat. No.: :SC25855

Purity / Specification :—

CAS No. :1476113-93-5

MDL No. :—

Molecular Formula :C₁₃H₁₈ClN

LogP :3.60

Molecular Weight :223.74

TPSA :12.0

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C)C1=C(C=C(C=C1)Cl)CNC2CC2

Melting Point :—

InChI Key : :NPQICEFTXKYSPD-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✓ 223.7 Da

LogP ≤ 5✓ 3.60

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

60/100

Moderate — typical building block

Predicted LogP

3.60log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 12.0Å² · 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.