1-(3-methoxy-4-pyridinyl)ethanamine

CAS No.：

Cat. No.: SC251000

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Product Name :1-(3-methoxy-4-pyridinyl)ethanamine

Cat. No.: :SC251000

Purity / Specification :—

CAS No. :1196733-04-6

MDL No. :MFCD1880233

Molecular Formula :C₈H₁₂N₂O

LogP :0.10

Molecular Weight :152.20

TPSA :48.1

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C1=C(C=NC=C1)OC)N

Melting Point :—

InChI Key : :VHYWKJVISYBWPI-UHFFFAOYSA-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✓ 152.2 Da

LogP ≤ 5✓ 0.10

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

59/100

Moderate — typical building block

Predicted LogP

0.10log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 48.1Å² · 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.