1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride
TL;DR: 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride (CAS 65210-29-9) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-(2-phenylethyl)azanium chloride
Also Known As: 2-Methyl-2-(2-(phenethylamino)ethyl)-1,3-benzodioxole hydrochloride, 1,3-BENZODIOXOLE, 2-METHYL-2-(2-(PHENETHYLAMINO)ETHYL)-, HYDROCHLORIDE, 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-phenethylazanium chloride, 1,3-Benzodioxole-2-ethanamine, 2-methyl-N-(2-phenylethyl)-, hydrochloride, RefChem:1052696
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 65210-29-9 |
|---|---|
| SMILES | CC1(OC2=CC=CC=C2O1)CC[NH2+]CCC3=CC=CC=C3.[Cl-] |
| InChIKey | QXQPOOJXBHUMRI-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride (CAS 65210-29-9), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-(2-phenylethyl)azanium chloride.
Chemical Property Profile of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride
Property Insights of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride
The XLogP value of -0.63 indicates that 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride 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 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride?
The CAS number of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride is 65210-29-9.
What is the molecular formula of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride?
The molecular formula of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride is C18H22ClNO2.
What is the molecular weight of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride?
The molecular weight of 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride is 319.13 g/mol.
Where can I buy 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride?
You can request a quote for 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.