Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride
TL;DR: Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride (CAS 1472-54-4) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
Also Known As: Benzyl homoveratrylamine hydrochloride, TIMTEC-BB SBB007251, N-benzyl-2-(3,4-dimethoxyphenyl)ethanamine, Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine, N-Benzyl-3,4-dimethoxyphenethylamine hydrochloride
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.4579 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 1472-54-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCC2=CC=CC=C2)OC.Cl |
| InChIKey | RLGJZQQFEBNHQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride (CAS 1472-54-4), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: N-benzyl-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride.
Chemical Property Profile of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride
Property Insights of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride
The XLogP value of 3.4579 indicates that Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride has 2 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 Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride?
The CAS number of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride is 1472-54-4.
What is the molecular formula of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride?
The molecular formula of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride is C17H22ClNO2.
What is the molecular weight of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride?
The molecular weight of Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride is 307.13 g/mol.
Where can I buy Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride?
You can request a quote for Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.