alpha-(3,4-Dimethoxyphenyl)benzeneethanamine
TL;DR: alpha-(3,4-Dimethoxyphenyl)benzeneethanamine (CAS 80235-75-2) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-phenylethanamine
Also Known As: Benzeneethanamine,alpha-(3,4-dimethoxyphenyl)-, 1-(3,4-dimethoxyphenyl)-2-phenylethanamine, alpha-(3,4-dimethoxyphenyl)benzeneethanamine, alpha-(3.4-dimethoxyphenyl)benzeneethanamine, alpha-(3,4-dimethoxyphenyl) benzeneethanamine
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 80235-75-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CC2=CC=CC=C2)N)OC |
| InChIKey | WAKRXOCPJKLWAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(3,4-Dimethoxyphenyl)benzeneethanamine (CAS 80235-75-2), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-phenylethanamine.
Chemical Property Profile of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine
Property Insights of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(3,4-Dimethoxyphenyl)benzeneethanamine. With a topological polar surface area (TPSA) of 44.5 Ų, alpha-(3,4-Dimethoxyphenyl)benzeneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(3,4-Dimethoxyphenyl)benzeneethanamine 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 alpha-(3,4-Dimethoxyphenyl)benzeneethanamine?
The CAS number of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine is 80235-75-2.
What is the molecular formula of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine?
The molecular formula of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine is C16H19NO2.
What is the molecular weight of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine?
The molecular weight of alpha-(3,4-Dimethoxyphenyl)benzeneethanamine is 257.14 g/mol.
Where can I buy alpha-(3,4-Dimethoxyphenyl)benzeneethanamine?
You can request a quote for alpha-(3,4-Dimethoxyphenyl)benzeneethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(3,4-Dimethoxyphenyl)benzeneethanamine?
Yes, KEHONG BIO provides custom synthesis services for alpha-(3,4-Dimethoxyphenyl)benzeneethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.