2-(Trifluoromethyl)benzylamine
TL;DR: 2-(Trifluoromethyl)benzylamine (CAS 3048-01-9) is a chemical compound with molecular formula C8H8F3N and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(trifluoromethyl)phenyl]methanamine
Also Known As: 2-(Trifluoromethyl)benzylamine, 2-Trifluoromethylbenzylamine, (2-(Trifluoromethyl)phenyl)methanamine, z1r bxfff, [2-(Trifluoromethyl)phenyl]methanamine
| Molecular Formula | C8H8F3N |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06088 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 3048-01-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN)C(F)(F)F |
| InChIKey | ZSKQIFWUTUZAGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)benzylamine (CAS 3048-01-9), with molecular formula C8H8F3N and molecular weight 175.06 g/mol. IUPAC: [2-(trifluoromethyl)phenyl]methanamine.
Chemical Property Profile of 2-(Trifluoromethyl)benzylamine
Property Insights of 2-(Trifluoromethyl)benzylamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)benzylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 2-(Trifluoromethyl)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)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
Frequently Asked Questions
What is the CAS number of 2-(Trifluoromethyl)benzylamine?
The CAS number of 2-(Trifluoromethyl)benzylamine is 3048-01-9.
What is the molecular formula of 2-(Trifluoromethyl)benzylamine?
The molecular formula of 2-(Trifluoromethyl)benzylamine is C8H8F3N.
What is the molecular weight of 2-(Trifluoromethyl)benzylamine?
The molecular weight of 2-(Trifluoromethyl)benzylamine is 175.06 g/mol.
Where can I buy 2-(Trifluoromethyl)benzylamine?
You can request a quote for 2-(Trifluoromethyl)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.