(1-ethylpyrrol-2-yl)methanamine;hydrochloride
CAS No.：
Cat. No.: SC24591
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :(1-ethylpyrrol-2-yl)methanamine;hydrochloride
Cat. No.: :SC24591
Purity / Specification :—
CAS No. :2680540-31-0
MDL No. :-
Molecular Formula :C7H13ClN2
LogP :1.39
Molecular Weight :160.65
TPSA :31.0
Category :Building Blocks
HSN Code :—
SMILES Code :CCn1cccc1CN.Cl
Melting Point :—
InChI Key : :XJQVRYLWZVUFIB-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✓ 160.6 Da
LogP ≤ 5✓ 1.39
HBD ≤ 5✓ 2
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i59/100
Moderate — typical building block
Predicted LogP
i1.39log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 31.0Ų · 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.