[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CAS No.：
Cat. No.: SC251080
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
Cat. No.: :SC251080
Purity / Specification :—
CAS No. :1106917-71-8
MDL No. :MFCD1520961
Molecular Formula :C8H10ClF2NO
LogP :2.17
Molecular Weight :209.62
TPSA :35.3
Category :Building Blocks
HSN Code :—
SMILES Code :Cl.NCc1cccc(OC(F)F)c1
Melting Point :—
InChI Key : :DTGHRIRRKQGREU-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✓ 209.6 Da
LogP ≤ 5✓ 2.17
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i2.17log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 35.3Ų · 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.