N-butyl-3-methoxyaniline
TL;DR: N-butyl-3-methoxyaniline (CAS 31084-55-6) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3-methoxyaniline
Also Known As: N-butyl-3-methoxyaniline, N-butyl-3-methoxy-aniline, butyl-(3-methoxy-phenyl)amine, Benzenamine,N-butyl-3-methoxy-, J1.989.689G
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.9072 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 247.60052 |
Chemical Identifiers
| CAS Number | 31084-55-6 |
|---|---|
| SMILES | CCCCNC1=CC(=CC=C1)OC |
Product Overview
N-butyl-3-methoxyaniline (CAS 31084-55-6), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: N-butyl-3-methoxyaniline.
Chemical Property Profile of N-butyl-3-methoxyaniline
Property Insights of N-butyl-3-methoxyaniline
The XLogP value of 2.9072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3-methoxyaniline. With a topological polar surface area (TPSA) of 21.26 Ų, N-butyl-3-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-3-methoxyaniline 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-3-methoxyaniline?
The CAS number of N-butyl-3-methoxyaniline is 31084-55-6.
What is the molecular formula of N-butyl-3-methoxyaniline?
The molecular formula of N-butyl-3-methoxyaniline is C11H17NO.
What is the molecular weight of N-butyl-3-methoxyaniline?
The molecular weight of N-butyl-3-methoxyaniline is 179.13 g/mol.
Where can I buy N-butyl-3-methoxyaniline?
You can request a quote for N-butyl-3-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-3-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.