N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine
TL;DR: N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine (CAS 893570-51-9) is a chemical compound with molecular formula C12H16BrNO2 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
Also Known As: N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine, Allyl-(3-bromo-4,5-dimethoxy-benzyl)-amine, AN-465/42767516, N-(3-bromo-4,5-dimethoxybenzyl)prop-2-en-1-amine, N-[(3-bromo-4,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
| Molecular Formula | C12H16BrNO2 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 2.7419 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.03644 |
| Heavy Atoms | 16 |
| Complexity | 366.28156 |
Chemical Identifiers
| CAS Number | 893570-51-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNCC=C)Br)OC |
Product Overview
N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine (CAS 893570-51-9), with molecular formula C12H16BrNO2 and molecular weight 285.04 g/mol. IUPAC: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]prop-2-en-1-amine.
Chemical Property Profile of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine
Property Insights of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine
The XLogP value of 2.7419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine. With a topological polar surface area (TPSA) of 30.49 Ų, N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N-(3-bromo-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-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine?
The CAS number of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine is 893570-51-9.
What is the molecular formula of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine?
The molecular formula of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine is C12H16BrNO2.
What is the molecular weight of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine?
The molecular weight of N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine is 285.04 g/mol.
Where can I buy N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine?
You can request a quote for N-allyl-N-(3-bromo-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-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N-(3-bromo-4,5-dimethoxybenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.