N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
TL;DR: N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine (CAS 85922-81-2) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
Also Known As: 3-chloro-n-(2,3-dimethoxybenzyl)-4-methylaniline, 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline, N-(3-CHLORO-P-TOLYL)-2,3-DIMETHOXYBENZYLAMINE, 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-aniline, 653-771-6
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 85922-81-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCC2=C(C(=CC=C2)OC)OC)Cl |
| InChIKey | BAQAIKMAMCQPFK-UHFFFAOYSA-N |
Product Overview
N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine (CAS 85922-81-2), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline.
Chemical Property Profile of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
Property Insights of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
The XLogP value of 4.3 indicates that N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine 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-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine 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-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine?
The CAS number of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine is 85922-81-2.
What is the molecular formula of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine?
The molecular formula of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine is C16H18ClNO2.
What is the molecular weight of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine?
The molecular weight of N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine is 291.10 g/mol.
Where can I buy N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine?
You can request a quote for N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.