alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine
TL;DR: alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine (CAS 3735-45-3) is a chemical compound with molecular formula C20H27NO2 and molecular weight 313.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
Also Known As: Vetrabutine, Monzal, Vetrabutin, Refatrin, Vetrabutina
| Molecular Formula | C20H27NO2 |
|---|---|
| Molecular Weight | 313.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.2042 |
| Heavy Atoms | 23 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 3735-45-3 |
|---|---|
| SMILES | CN(C)C(CCCC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC |
| InChIKey | HEFVRVOEBZDOJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine (CAS 3735-45-3), with molecular formula C20H27NO2 and molecular weight 313.20 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine.
Chemical Property Profile of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine
Property Insights of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine
The XLogP value of 4.4 indicates that alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine has 0 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)-N,N-dimethylbenzenebutanamine?
The CAS number of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine is 3735-45-3.
What is the molecular formula of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine?
The molecular formula of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine is C20H27NO2.
What is the molecular weight of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine?
The molecular weight of alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine is 313.20 g/mol.
Where can I buy alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine?
You can request a quote for alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine 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)-N,N-dimethylbenzenebutanamine?
Yes, KEHONG BIO provides custom synthesis services for alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.