3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride
TL;DR: 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride (CAS 83658-79-1) is a chemical compound with molecular formula C20H23Cl2F3N2 and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride
Also Known As: 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride, N,N-dimethyl-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-3-yl]ethanamine dihydrochloride, N,N-Dimethyl-2-{1-[2-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-3-yl}ethan-1-amine--hydrogen chloride (1/2), RefChem:280193
| Molecular Formula | C20H23Cl2F3N2 |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 5.2628 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.11905 |
| Heavy Atoms | 27 |
| Complexity | 788.79144 |
Chemical Identifiers
| CAS Number | 83658-79-1 |
|---|---|
| SMILES | CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3C(F)(F)F.Cl.Cl |
Product Overview
3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride (CAS 83658-79-1), with molecular formula C20H23Cl2F3N2 and molecular weight 418.12 g/mol. IUPAC: N,N-dimethyl-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride.
Chemical Property Profile of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride
Property Insights of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride
The XLogP value of 5.2628 indicates that 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride?
The CAS number of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride is 83658-79-1.
What is the molecular formula of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride?
The molecular formula of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride is C20H23Cl2F3N2.
What is the molecular weight of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride?
The molecular weight of 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride is 418.12 g/mol.
Where can I buy 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride?
You can request a quote for 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-(trifluoromethyl)phenyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.