3-(Difluoromethoxy)benzylamine
TL;DR: 3-(Difluoromethoxy)benzylamine (CAS 126747-14-6) is a chemical compound with molecular formula C8H9F2NO and molecular weight 173.06522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(difluoromethoxy)phenyl]methanamine
Also Known As: 3-(Difluoromethoxy)benzylamine, (3-(Difluoromethoxy)phenyl)methanamine, [3-(difluoromethoxy)phenyl]methanamine, 3-(Difluoromethoxy)benzyl amine, 3-Picolylmethylamine
Technical Specifications
| Molecular Formula | C8H9F2NO |
| Molecular Weight | 173.06522 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.06522 Da |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| SMILES | C1=CC(=CC(=C1)OC(F)F)CN |
| InChIKey | SYAQBBDPVPDVLJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Difluoromethoxy)benzylamine
Property Insights of 3-(Difluoromethoxy)benzylamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Difluoromethoxy)benzylamine. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(Difluoromethoxy)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Difluoromethoxy)benzylamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Difluoromethoxy)benzylamine?
The CAS number of 3-(Difluoromethoxy)benzylamine is 126747-14-6.
What is the molecular formula of 3-(Difluoromethoxy)benzylamine?
The molecular formula of 3-(Difluoromethoxy)benzylamine is C8H9F2NO.
What is the molecular weight of 3-(Difluoromethoxy)benzylamine?
The molecular weight of 3-(Difluoromethoxy)benzylamine is 173.06522 g/mol.
Where can I buy 3-(Difluoromethoxy)benzylamine?
You can request a quote for 3-(Difluoromethoxy)benzylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Difluoromethoxy)benzylamine?
Yes, CoreyChem provides custom synthesis services for 3-(Difluoromethoxy)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.