Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate
TL;DR: Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate (CAS 62064-67-9) is a chemical compound with molecular formula C18H22F3NO3S and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;methanesulfonic acid
Also Known As: N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine methanesulfonate, Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate, Benzeneethanamine, alpha-methyl-N-(phenylmethyl)-3-(trifluoromethyl)-, methanesulfonate, N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine; methanesulfonic acid, Methanesulfonic acid--N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (1/1)
| Molecular Formula | C18H22F3NO3S |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 3.9302 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.12726 |
| Heavy Atoms | 26 |
| Complexity | 769.7684 |
Chemical Identifiers
| CAS Number | 62064-67-9 |
|---|---|
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCC2=CC=CC=C2.CS(=O)(=O)O |
Product Overview
Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate (CAS 62064-67-9), with molecular formula C18H22F3NO3S and molecular weight 389.13 g/mol. IUPAC: N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;methanesulfonic acid.
Chemical Property Profile of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate
Property Insights of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate
The XLogP value of 3.9302 indicates that Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate. Following Lipinski's Rule of Five, Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate has 2 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-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate?
The CAS number of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate is 62064-67-9.
What is the molecular formula of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate?
The molecular formula of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate is C18H22F3NO3S.
What is the molecular weight of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate?
The molecular weight of Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate is 389.13 g/mol.
Where can I buy Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate?
You can request a quote for Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.