N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline (CAS 331970-74-2) is a chemical compound with molecular formula C16H16FNO2 and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline
Also Known As: ChemDiv2_000358, BAS 00716662, AB00089958-01, N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline, (2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-(4-fluoro-2-methyl-phenyl)-amine
| Molecular Formula | C16H16FNO2 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.11652 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 331970-74-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)NCC2=CC3=C(C=C2)OCCO3 |
| InChIKey | HWKQYLCDVXOVNY-UHFFFAOYSA-N |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline (CAS 331970-74-2), with molecular formula C16H16FNO2 and molecular weight 273.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline
The XLogP value of 3.6 indicates that N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline 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 N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline is 331970-74-2.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline is C16H16FNO2.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline is 273.12 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.