(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride

CAS No.：

Cat. No.: SC251634

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Product Name :(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride

Cat. No.: :SC251634

Purity / Specification :—

CAS No. :2377004-23-2

MDL No. :—

Molecular Formula :C₁₀H₁₂ClF₂NO

LogP :2.66

Molecular Weight :235.66

TPSA :35.3

Category :Drug Discovery

HSN Code :—

SMILES Code :Cl.N[C@H]1CCc2ccc(OC(F)F)cc21

Melting Point :—

InChI Key : :ZONCYKDJKPZRQW-FVGYRXGTSA-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✓ 235.7 Da

LogP ≤ 5✓ 2.66

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

79/100

Good drug-like profile

Predicted LogP

2.66log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 35.3Å² · 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.