(1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine
TL;DR: (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine (CAS 418779-97-2) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine
Also Known As: (1,3-BENZODIOXOL-5-YLMETHYL)(2-METHYLBENZYL)AMINE, CHEMBRDG-BB 5549859, CHEMBRDG-BB5549859, BAS 01125099, 1-(1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 418779-97-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CNCC2=CC3=C(C=C2)OCO3 |
| InChIKey | MQTJXAAFBZGISI-UHFFFAOYSA-N |
Product Overview
(1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine (CAS 418779-97-2), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine.
Chemical Property Profile of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine
Property Insights of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine
The XLogP value of 3.2 indicates that (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine 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-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine?
The CAS number of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine is 418779-97-2.
What is the molecular formula of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine?
The molecular formula of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine is C16H17NO2.
What is the molecular weight of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine?
The molecular weight of (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine is 255.13 g/mol.
Where can I buy (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine?
You can request a quote for (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.