1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine
TL;DR: 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine (CAS 418774-45-5) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine, 2,6-DICHLOROPHENYLACETAMIDE, N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine, BAS 05541996, 1-(Benzo[d][1,3]dioxol-5-yl)-N-(3-methoxybenzyl)methanamine
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 418774-45-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNCC2=CC3=C(C=C2)OCO3 |
| InChIKey | JGHIAUKWFDEKRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine (CAS 418774-45-5), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine
Property Insights of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine. With a topological polar surface area (TPSA) of 39.7 Ų, 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine?
The CAS number of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine is 418774-45-5.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine is C16H17NO3.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine is 271.12 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-N-(3-methoxybenzyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.