N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride
TL;DR: N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride (CAS 62064-79-3) is a chemical compound with molecular formula C14H18ClF3N2O and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propanenitrile;hydrochloride
Also Known As: N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride, Phenethylamine, N-(2-cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethyl-, hydrochloride, Propanenitrile, 3-((2-methoxy-1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, HCl, 3-[[1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propanenitrile hydrochloride, 3-({1-Methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-yl}amino)propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C14H18ClF3N2O |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.70648 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.106 |
| Heavy Atoms | 21 |
| Complexity | 474.0223 |
Chemical Identifiers
| CAS Number | 62064-79-3 |
|---|---|
| SMILES | CC(C(C1=CC(=CC=C1)C(F)(F)F)OC)NCCC#N.Cl |
Product Overview
N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride (CAS 62064-79-3), with molecular formula C14H18ClF3N2O and molecular weight 322.11 g/mol. IUPAC: 3-[[1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propanenitrile;hydrochloride.
Chemical Property Profile of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride
Property Insights of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride
The XLogP value of 3.70648 indicates that N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine 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, N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine 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 N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride?
The CAS number of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride is 62064-79-3.
What is the molecular formula of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride?
The molecular formula of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride is C14H18ClF3N2O.
What is the molecular weight of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride?
The molecular weight of N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride is 322.11 g/mol.
Where can I buy N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride?
You can request a quote for N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.