(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

CAS No.：

Cat. No.: SC25908

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Product Name :(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

Cat. No.: :SC25908

Purity / Specification :—

CAS No. :1351564-23-2

MDL No. :MFCD2976322

Molecular Formula :C₁₁H₁₅N

LogP :2.00

Molecular Weight :161.25

TPSA :26.0

Category :Building Blocks

HSN Code :—

SMILES Code :C[C@H]1CC2=C([C@@H]1N)C=C(C=C2)C

Melting Point :—

InChI Key : :NMRCYNVWDPJOAC-GZMMTYOYSA-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✓ 161.2 Da

LogP ≤ 5✓ 2.00

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

63/100

Moderate — typical building block

Predicted LogP

2.00log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 26.0Å² · 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.