1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺
TL;DR: 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 (CAS 52842-59-8) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine
Also Known As: Dimoxamine, Ariadne, alpha-EH Dom, alpha-Ethyl 2c-d, BL3912 free base
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 52842-59-8 |
|---|---|
| SMILES | CCC(CC1=C(C=C(C(=C1)OC)C)OC)N |
| InChIKey | MLYCFWZIAJAIGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 (CAS 52842-59-8), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: 1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine.
Chemical Property Profile of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺
Property Insights of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺. With a topological polar surface area (TPSA) of 44.5 Ų, 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 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
Frequently Asked Questions
What is the CAS number of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺?
The CAS number of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 is 52842-59-8.
What is the molecular formula of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺?
The molecular formula of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 is C13H21NO2.
What is the molecular weight of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺?
The molecular weight of 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 is 223.16 g/mol.
Where can I buy 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺?
You can request a quote for 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-二甲氧基-4-甲基苯基)丁-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.