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2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine
TL;DR: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine (CAS 356091-85-5) is a chemical compound with molecular formula C17H19NO2 and molecular weight 269.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine
Also Known As: BAS 01124729, 2-(1,3-benzodioxol-5-yl)-N-(4-methylbenzyl)ethanamine, 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine, (2-Benzo[1,3]dioxol-5-yl-ethyl)-(4-methyl-benzyl)-amine, [2-(2H-1,3-BENZODIOXOL-5-YL)ETHYL][(4-METHYLPHENYL)METHYL]AMINE
| Molecular Formula | C17H19NO2 |
|---|---|
| Molecular Weight | 269.14 g/mol |
| LogP | 3.05602 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.14157 |
| Heavy Atoms | 20 |
| Complexity | 578.04395 |
Chemical Identifiers
| CAS Number | 356091-85-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3 |
Product Overview
2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine (CAS 356091-85-5), with molecular formula C17H19NO2 and molecular weight 269.14 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine
Property Insights of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine
The XLogP value of 3.05602 indicates that 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine 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 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The CAS number of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine is 356091-85-5.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine is C17H19NO2.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine is 269.14 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.