N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline (CAS 355395-63-0) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline, BAS 02500280, BIM-0020321.P001, Benzo[1,3]dioxol-5-ylmethyl-m-tolyl-amine, AT-057/12853455
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 355395-63-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | OUYZQYDFMRHZNN-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline (CAS 355395-63-0), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline
The XLogP value of 3.8 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline 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 N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline is 355395-63-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline is C15H15NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline is 241.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.