![N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine structure](/static/products/4015/401502-48-5.webp)
N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine
TL;DR: N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine (CAS 401502-48-5) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-methylphenoxy)-N-prop-2-enylpropan-1-amine
Also Known As: N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine, 3-(4-chloro-3-methylphenoxy)-N-prop-2-enylpropan-1-amine, AB00088295-01
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.19292 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 338.70453 |
Chemical Identifiers
| CAS Number | 401502-48-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCCNCC=C)Cl |
Product Overview
N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine (CAS 401502-48-5), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 3-(4-chloro-3-methylphenoxy)-N-prop-2-enylpropan-1-amine.
Chemical Property Profile of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine
Property Insights of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine
The XLogP value of 3.19292 indicates that N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine 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-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine 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-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine?
The CAS number of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine is 401502-48-5.
What is the molecular formula of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine?
The molecular formula of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine is C13H18ClNO.
What is the molecular weight of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine?
The molecular weight of N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine is 239.11 g/mol.
Where can I buy N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine?
You can request a quote for N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N-[3-(4-chloro-3-methylphenoxy)propyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.