4-bromo-N-(pyridin-4-ylmethyl)aniline
TL;DR: 4-bromo-N-(pyridin-4-ylmethyl)aniline (CAS 166110-81-2) is a chemical compound with molecular formula C12H11BrN2 and molecular weight 262.01056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(pyridin-4-ylmethyl)aniline
Also Known As: 4-bromo-N-(pyridin-4-ylmethyl)aniline, 4-bromo-N-[(pyridin-4-yl)methyl]aniline, G59694
Technical Specifications
| Molecular Formula | C12H11BrN2 |
| Molecular Weight | 262.01056 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.01056 Da |
| Heavy Atoms | 15 |
| Complexity | 172.0 |
| SMILES | C1=CC(=CC=C1NCC2=CC=NC=C2)Br |
| InChIKey | VQAZNDNUTPWZEX-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-N-(pyridin-4-ylmethyl)aniline
Property Insights of 4-bromo-N-(pyridin-4-ylmethyl)aniline
The XLogP value of 3.0 indicates that 4-bromo-N-(pyridin-4-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 4-bromo-N-(pyridin-4-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(pyridin-4-ylmethyl)aniline 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
What is the CAS number of 4-bromo-N-(pyridin-4-ylmethyl)aniline?
The CAS number of 4-bromo-N-(pyridin-4-ylmethyl)aniline is 166110-81-2.
What is the molecular formula of 4-bromo-N-(pyridin-4-ylmethyl)aniline?
The molecular formula of 4-bromo-N-(pyridin-4-ylmethyl)aniline is C12H11BrN2.
What is the molecular weight of 4-bromo-N-(pyridin-4-ylmethyl)aniline?
The molecular weight of 4-bromo-N-(pyridin-4-ylmethyl)aniline is 262.01056 g/mol.
Where can I buy 4-bromo-N-(pyridin-4-ylmethyl)aniline?
You can request a quote for 4-bromo-N-(pyridin-4-ylmethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-N-(pyridin-4-ylmethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-bromo-N-(pyridin-4-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.