3-methoxy-N-(thiophen-2-ylmethyl)aniline
TL;DR: 3-methoxy-N-(thiophen-2-ylmethyl)aniline (CAS 1021084-66-1) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-N-(thiophen-2-ylmethyl)aniline
Also Known As: 3-methoxy-N-(thiophen-2-ylmethyl)aniline, 3-methoxy-N-[(thiophen-2-yl)methyl]aniline, (3-methoxyphenyl)(2-thienylmethyl)amine, F1984-0262
Technical Specifications
| Molecular Formula | C12H13NOS |
| Molecular Weight | 219.0718 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 49.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.0718 Da |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
| SMILES | COC1=CC=CC(=C1)NCC2=CC=CS2 |
| InChIKey | MUDIXRVXDSXRLV-UHFFFAOYSA-N |
Chemical Property Profile of 3-methoxy-N-(thiophen-2-ylmethyl)aniline
Property Insights of 3-methoxy-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 3.1 indicates that 3-methoxy-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 49.5 Ų, 3-methoxy-N-(thiophen-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxy-N-(thiophen-2-ylmethyl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-methoxy-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 3-methoxy-N-(thiophen-2-ylmethyl)aniline is 1021084-66-1.
What is the molecular formula of 3-methoxy-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 3-methoxy-N-(thiophen-2-ylmethyl)aniline is C12H13NOS.
What is the molecular weight of 3-methoxy-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 3-methoxy-N-(thiophen-2-ylmethyl)aniline is 219.0718 g/mol.
Where can I buy 3-methoxy-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 3-methoxy-N-(thiophen-2-ylmethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methoxy-N-(thiophen-2-ylmethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 3-methoxy-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.