N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine
TL;DR: N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine (CAS 865660-32-8) is a chemical compound with molecular formula C12H18ClNO3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
Also Known As: N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine, [(3-chloro-4-methoxyphenyl)methyl](2,2-dimethoxyethyl)amine, 3X-0867, N-[(3-chloro-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine, N-[(3-chloro-4-methoxy-phenyl)methyl]-2,2-dimethoxy-ethanamine
| Molecular Formula | C12H18ClNO3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.0571 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.09753 |
| Heavy Atoms | 17 |
| Complexity | 342.52267 |
Chemical Identifiers
| CAS Number | 865660-32-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNCC(OC)OC)Cl |
Product Overview
N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine (CAS 865660-32-8), with molecular formula C12H18ClNO3 and molecular weight 259.10 g/mol. IUPAC: N-[(3-chloro-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine.
Chemical Property Profile of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine
Property Insights of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine
The XLogP value of 2.0571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine. With a topological polar surface area (TPSA) of 39.72 Ų, N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine 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-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine?
The CAS number of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine is 865660-32-8.
What is the molecular formula of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine?
The molecular formula of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine is C12H18ClNO3.
What is the molecular weight of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine?
The molecular weight of N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine is 259.10 g/mol.
Where can I buy N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine?
You can request a quote for N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine 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-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxybenzyl)-2,2-dimethoxy-1-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.