3-Amino-5-methylbenzotrifluoride
TL;DR: 3-Amino-5-methylbenzotrifluoride (CAS 96100-12-8) is a chemical compound with molecular formula C8H8F3N and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(trifluoromethyl)aniline
Also Known As: 3-Amino-5-methylbenzotrifluoride, 3-methyl-5-(trifluoromethyl)aniline, 3-Methyl-5-trifluoromethylaniline, 5-Methyl-3-(trifluoromethyl)aniline, 3-methyl-5-thifluoromethylaniline
| Molecular Formula | C8H8F3N |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.59602 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.06088 |
| Heavy Atoms | 12 |
| Complexity | 270.59473 |
Chemical Identifiers
| CAS Number | 96100-12-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N)C(F)(F)F |
Product Overview
3-Amino-5-methylbenzotrifluoride (CAS 96100-12-8), with molecular formula C8H8F3N and molecular weight 175.06 g/mol. IUPAC: 3-methyl-5-(trifluoromethyl)aniline.
Chemical Property Profile of 3-Amino-5-methylbenzotrifluoride
Property Insights of 3-Amino-5-methylbenzotrifluoride
The XLogP value of 2.59602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-methylbenzotrifluoride. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Amino-5-methylbenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-methylbenzotrifluoride 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 3-Amino-5-methylbenzotrifluoride?
The CAS number of 3-Amino-5-methylbenzotrifluoride is 96100-12-8.
What is the molecular formula of 3-Amino-5-methylbenzotrifluoride?
The molecular formula of 3-Amino-5-methylbenzotrifluoride is C8H8F3N.
What is the molecular weight of 3-Amino-5-methylbenzotrifluoride?
The molecular weight of 3-Amino-5-methylbenzotrifluoride is 175.06 g/mol.
Where can I buy 3-Amino-5-methylbenzotrifluoride?
You can request a quote for 3-Amino-5-methylbenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-methylbenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-methylbenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.