Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
TL;DR: Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride (CAS 62064-72-6) is a chemical compound with molecular formula C13H16ClF3N2O and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propanenitrile;hydrochloride
Also Known As: N-Cyanoethyl-beta-methoxy-m-trifluoromethylphenethylamine hydrochloride, Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride, Propanenitrile, 3-((2-methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, monohydrochloride, 3-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propanenitrile hydrochloride, 3-({2-Methoxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C13H16ClF3N2O |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 3.31798 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.09033 |
| Heavy Atoms | 20 |
| Complexity | 445.97778 |
Chemical Identifiers
| CAS Number | 62064-72-6 |
|---|---|
| SMILES | COC(CNCCC#N)C1=CC(=CC=C1)C(F)(F)F.Cl |
Product Overview
Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride (CAS 62064-72-6), with molecular formula C13H16ClF3N2O and molecular weight 308.09 g/mol. IUPAC: 3-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propanenitrile;hydrochloride.
Chemical Property Profile of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
Property Insights of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
The XLogP value of 3.31798 indicates that Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-cyanoethyl-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-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
The CAS number of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is 62064-72-6.
What is the molecular formula of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
The molecular formula of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is C13H16ClF3N2O.
What is the molecular weight of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
The molecular weight of Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride is 308.09 g/mol.
Where can I buy Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
You can request a quote for Phenethylamine, N-cyanoethyl-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-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-cyanoethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.