(1R)-1-(3-methoxyphenyl)ethanamine

CAS No.：

Cat. No.: SC251348

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Product Name :(1R)-1-(3-methoxyphenyl)ethanamine

Cat. No.: :SC251348

Purity / Specification :—

CAS No. :88196-70-7

MDL No. :—

Molecular Formula :C₉H₁₃NO

LogP :1.60

Molecular Weight :151.21

TPSA :35.3

Category :Building Blocks

HSN Code :—

SMILES Code :C[C@H](C1=CC(=CC=C1)OC)N

Melting Point :—

InChI Key : :CJWGCBRQAHCVHW-SSDOTTSWSA-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✓ 151.2 Da

LogP ≤ 5✓ 1.60

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

64/100

Moderate — typical building block

Predicted LogP

1.60log 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.