Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
TL;DR: Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride (CAS 62064-71-5) is a chemical compound with molecular formula C12H14ClF3N2O and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetonitrile;hydrochloride
Also Known As: N-Cyanomethyl-beta-methoxy-m-trifluoromethylphenethylamine hydrochloride, Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride, Acetonitrile, ((2-methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, monohydrochloride, ({2-Methoxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)acetonitrile--hydrogen chloride (1/1), 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetonitrile hydrochloride
| Molecular Formula | C12H14ClF3N2O |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 2.92788 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.07468 |
| Heavy Atoms | 19 |
| Complexity | 431.71805 |
Chemical Identifiers
| CAS Number | 62064-71-5 |
|---|---|
| SMILES | COC(CNCC#N)C1=CC(=CC=C1)C(F)(F)F.Cl |
Product Overview
Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride (CAS 62064-71-5), with molecular formula C12H14ClF3N2O and molecular weight 294.07 g/mol. IUPAC: 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetonitrile;hydrochloride.
Chemical Property Profile of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
Property Insights of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
The XLogP value of 2.92788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride. With a topological polar surface area (TPSA) of 45.05 Ų, Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
The CAS number of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is 62064-71-5.
What is the molecular formula of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
The molecular formula of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is C12H14ClF3N2O.
What is the molecular weight of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
The molecular weight of Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is 294.07 g/mol.
Where can I buy Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
You can request a quote for Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.