![N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine structure](/static/products/774/774554-47-1.png)
N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine
TL;DR: N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine (CAS 774554-47-1) is a chemical compound with molecular formula C14H19ClN2 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Also Known As: ChemDiv3_015127, BAS 10139495, N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine, AN-465/42518710, N-(4-chlorobenzyl)-1-azabicyclo[2.2.2]octan-3-amine
| Molecular Formula | C14H19ClN2 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.5238 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.12367 |
| Heavy Atoms | 17 |
| Complexity | 368.31354 |
Chemical Identifiers
| CAS Number | 774554-47-1 |
|---|---|
| SMILES | C1CN2CCC1C(C2)NCC3=CC=C(C=C3)Cl |
Product Overview
N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine (CAS 774554-47-1), with molecular formula C14H19ClN2 and molecular weight 250.12 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
Chemical Property Profile of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine
Property Insights of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine
The XLogP value of 2.5238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine. With a topological polar surface area (TPSA) of 15.27 Ų, N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine?
The CAS number of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine is 774554-47-1.
What is the molecular formula of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine?
The molecular formula of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine is C14H19ClN2.
What is the molecular weight of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine?
The molecular weight of N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine is 250.12 g/mol.
Where can I buy N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine?
You can request a quote for N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-azabicyclo[2.2.2]oct-3-yl)-N-(4-chlorobenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.