Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-
TL;DR: Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- (CAS 91300-59-3) is a chemical compound with molecular formula C10H12F3N and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
Also Known As: N-[3-(Trifluoromethyl)benzyl]ethylamine, Benzylamine der, N-(3-(Trifluoromethyl)benzyl)ethanamine, Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-, N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
| Molecular Formula | C10H12F3N |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09218 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 91300-59-3 |
|---|---|
| SMILES | CCNCC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | MGSDOCJVFWZVGG-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- (CAS 91300-59-3), with molecular formula C10H12F3N and molecular weight 203.09 g/mol. IUPAC: N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-
Property Insights of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- 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 Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-?
The CAS number of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- is 91300-59-3.
What is the molecular formula of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-?
The molecular formula of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- is C10H12F3N.
What is the molecular weight of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-?
The molecular weight of Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- is 203.09 g/mol.
Where can I buy Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-?
You can request a quote for Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-ethyl-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-ethyl-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.