4-(3,4,5-Trimethoxyphenethyl)aniline
TL;DR: 4-(3,4,5-Trimethoxyphenethyl)aniline (CAS 110997-90-5) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
Also Known As: 4-(3,4,5-Trimethoxyphenethyl)aniline, 4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline, 4 -Amino-3,4,5-trimethoxybibenzyl, NCI60_010236, 4-[2-(3,5-Trimethoxyphenyl)Ethyl]Aniline
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 110997-90-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)N |
| InChIKey | BPIQFCQFIYIISU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4,5-Trimethoxyphenethyl)aniline (CAS 110997-90-5), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: 4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline.
Chemical Property Profile of 4-(3,4,5-Trimethoxyphenethyl)aniline
Property Insights of 4-(3,4,5-Trimethoxyphenethyl)aniline
The XLogP value of 3.0 indicates that 4-(3,4,5-Trimethoxyphenethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 4-(3,4,5-Trimethoxyphenethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4,5-Trimethoxyphenethyl)aniline 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 4-(3,4,5-Trimethoxyphenethyl)aniline?
The CAS number of 4-(3,4,5-Trimethoxyphenethyl)aniline is 110997-90-5.
What is the molecular formula of 4-(3,4,5-Trimethoxyphenethyl)aniline?
The molecular formula of 4-(3,4,5-Trimethoxyphenethyl)aniline is C17H21NO3.
What is the molecular weight of 4-(3,4,5-Trimethoxyphenethyl)aniline?
The molecular weight of 4-(3,4,5-Trimethoxyphenethyl)aniline is 287.15 g/mol.
Where can I buy 4-(3,4,5-Trimethoxyphenethyl)aniline?
You can request a quote for 4-(3,4,5-Trimethoxyphenethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4,5-Trimethoxyphenethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4,5-Trimethoxyphenethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.