N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine
TL;DR: N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine (CAS 893572-89-9) is a chemical compound with molecular formula C19H26ClNO2 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]adamantan-2-amine
Also Known As: N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine, AN-465/42519416, N-[(3-chloro-4,5-dimethoxyphenyl)methyl]adamantan-2-amine, N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]adamantan-2-amine, N-(3-chloro-4,5-dimethoxybenzyl)tricyclo[3.3.1.1~3,7~]decan-2-amine
| Molecular Formula | C19H26ClNO2 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 4.2715 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.1652 |
| Heavy Atoms | 23 |
| Complexity | 560.9775 |
Chemical Identifiers
| CAS Number | 893572-89-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OC |
Product Overview
N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine (CAS 893572-89-9), with molecular formula C19H26ClNO2 and molecular weight 335.17 g/mol. IUPAC: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]adamantan-2-amine.
Chemical Property Profile of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine
Property Insights of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine
The XLogP value of 4.2715 indicates that N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)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 N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine?
The CAS number of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine is 893572-89-9.
What is the molecular formula of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine?
The molecular formula of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine is C19H26ClNO2.
What is the molecular weight of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine?
The molecular weight of N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine is 335.17 g/mol.
Where can I buy N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine?
You can request a quote for N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-N-(3-chloro-4,5-dimethoxybenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.