3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline
TL;DR: 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline (CAS 392726-25-9) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline
Also Known As: 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline, 3,4-dimethyl-N-[(thiophen-2-yl)methyl]aniline, (3,4-dimethylphenyl)(2-thienylmethyl)amine, 2-Thiophenemethanamine, N-(3,4-dimethylphenyl)-
| Molecular Formula | C13H15NS |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 3.97704 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.09251 |
| Heavy Atoms | 15 |
| Complexity | 431.80154 |
Chemical Identifiers
| CAS Number | 392726-25-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCC2=CC=CS2)C |
Product Overview
3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline (CAS 392726-25-9), with molecular formula C13H15NS and molecular weight 217.09 g/mol. IUPAC: 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline.
Chemical Property Profile of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline
Property Insights of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 3.97704 indicates that 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline has 1 hydrogen bond donor(s) and 2 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 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline is 392726-25-9.
What is the molecular formula of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline is C13H15NS.
What is the molecular weight of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline is 217.09 g/mol.
Where can I buy 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.