N-Butyl-5-chloro-2-methoxybenzenemethanamine
TL;DR: N-Butyl-5-chloro-2-methoxybenzenemethanamine (CAS 60509-47-9) is a chemical compound with molecular formula C12H18ClNO and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-2-methoxyphenyl)methyl]butan-1-amine
Also Known As: N-Butyl-5-chloro-2-methoxybenzenemethanamine, N-[(5-chloro-2-methoxyphenyl)methyl]butan-1-amine, N-[(5-chloro-2-methoxy-phenyl)methyl]butan-1-amine
| Molecular Formula | C12H18ClNO |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 3.2383 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.1077 |
| Heavy Atoms | 15 |
| Complexity | 301.67365 |
Chemical Identifiers
| CAS Number | 60509-47-9 |
|---|---|
| SMILES | CCCCNCC1=C(C=CC(=C1)Cl)OC |
Product Overview
N-Butyl-5-chloro-2-methoxybenzenemethanamine (CAS 60509-47-9), with molecular formula C12H18ClNO and molecular weight 227.11 g/mol. IUPAC: N-[(5-chloro-2-methoxyphenyl)methyl]butan-1-amine.
Chemical Property Profile of N-Butyl-5-chloro-2-methoxybenzenemethanamine
Property Insights of N-Butyl-5-chloro-2-methoxybenzenemethanamine
The XLogP value of 3.2383 indicates that N-Butyl-5-chloro-2-methoxybenzenemethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-Butyl-5-chloro-2-methoxybenzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-5-chloro-2-methoxybenzenemethanamine has 1 hydrogen bond donor(s) and 2 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-Butyl-5-chloro-2-methoxybenzenemethanamine?
The CAS number of N-Butyl-5-chloro-2-methoxybenzenemethanamine is 60509-47-9.
What is the molecular formula of N-Butyl-5-chloro-2-methoxybenzenemethanamine?
The molecular formula of N-Butyl-5-chloro-2-methoxybenzenemethanamine is C12H18ClNO.
What is the molecular weight of N-Butyl-5-chloro-2-methoxybenzenemethanamine?
The molecular weight of N-Butyl-5-chloro-2-methoxybenzenemethanamine is 227.11 g/mol.
Where can I buy N-Butyl-5-chloro-2-methoxybenzenemethanamine?
You can request a quote for N-Butyl-5-chloro-2-methoxybenzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-5-chloro-2-methoxybenzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-5-chloro-2-methoxybenzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.