Isobutyl-(3-trifluoromethyl-phenyl)-amine
TL;DR: Isobutyl-(3-trifluoromethyl-phenyl)-amine (CAS 55171-30-7) 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-(2-methylpropyl)-3-(trifluoromethyl)aniline
Also Known As: N-(2-methylpropyl)-3-(trifluoromethyl)aniline, ISOBUTYL-(3-TRIFLUOROMETHYL-PHENYL)-AMINE, N-Isobutyl-3-(trifluoromethyl)aniline, 5-Aminoimidazole-4-carboxamide-1-beta-riboside
| Molecular Formula | C11H14F3N |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 3.7733 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.10783 |
| Heavy Atoms | 15 |
| Complexity | 317.85422 |
Chemical Identifiers
| CAS Number | 55171-30-7 |
|---|---|
| SMILES | CC(C)CNC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Isobutyl-(3-trifluoromethyl-phenyl)-amine (CAS 55171-30-7), with molecular formula C11H14F3N and molecular weight 217.11 g/mol. IUPAC: N-(2-methylpropyl)-3-(trifluoromethyl)aniline.
Chemical Property Profile of Isobutyl-(3-trifluoromethyl-phenyl)-amine
Property Insights of Isobutyl-(3-trifluoromethyl-phenyl)-amine
The XLogP value of 3.7733 indicates that Isobutyl-(3-trifluoromethyl-phenyl)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Isobutyl-(3-trifluoromethyl-phenyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl-(3-trifluoromethyl-phenyl)-amine has 1 hydrogen bond donor(s) and 1 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 Isobutyl-(3-trifluoromethyl-phenyl)-amine?
The CAS number of Isobutyl-(3-trifluoromethyl-phenyl)-amine is 55171-30-7.
What is the molecular formula of Isobutyl-(3-trifluoromethyl-phenyl)-amine?
The molecular formula of Isobutyl-(3-trifluoromethyl-phenyl)-amine is C11H14F3N.
What is the molecular weight of Isobutyl-(3-trifluoromethyl-phenyl)-amine?
The molecular weight of Isobutyl-(3-trifluoromethyl-phenyl)-amine is 217.11 g/mol.
Where can I buy Isobutyl-(3-trifluoromethyl-phenyl)-amine?
You can request a quote for Isobutyl-(3-trifluoromethyl-phenyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl-(3-trifluoromethyl-phenyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl-(3-trifluoromethyl-phenyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.