3-(aminomethyl)-2,6-dichloroaniline
CAS No.：
Cat. No.: SC25994
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Product Name :3-(aminomethyl)-2,6-dichloroaniline
Cat. No.: :SC25994
Purity / Specification :—
CAS No. :1360623-97-7
MDL No. :—
Molecular Formula :C7H8Cl2N2
LogP :1.40
Molecular Weight :191.06
TPSA :52.0
Category :Building Blocks
HSN Code :—
SMILES Code :NCc1ccc(Cl)c(N)c1Cl
Melting Point :—
InChI Key : :UVOTWFRREWPTKG-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 191.1 Da
LogP ≤ 5✓ 1.40
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i1.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 52.0Ų · 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.