Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-
TL;DR: Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- (CAS 90389-00-7) is a chemical compound with molecular formula C11H14F3N and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
Also Known As: Benzylamine der, Isopropyl-(3-trifluoromethyl-benzyl)-amine, N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine, (propan-2-yl)({[3-(trifluoromethyl)phenyl]methyl})amine, Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-
| Molecular Formula | C11H14F3N |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.10783 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 90389-00-7 |
|---|---|
| SMILES | CC(C)NCC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | YVDKKMRWSYZNRS-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- (CAS 90389-00-7), with molecular formula C11H14F3N and molecular weight 217.11 g/mol. IUPAC: N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.
Chemical Property Profile of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-
Property Insights of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-
The XLogP value of 3.3 indicates that Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 4 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 Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-?
The CAS number of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- is 90389-00-7.
What is the molecular formula of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-?
The molecular formula of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- is C11H14F3N.
What is the molecular weight of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-?
The molecular weight of Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- is 217.11 g/mol.
Where can I buy Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-?
You can request a quote for Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.