N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine
TL;DR: N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine (CAS 880803-85-0) is a chemical compound with molecular formula C16H18BrNO2 and molecular weight 335.05 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]-1-phenylmethanamine
Also Known As: N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine, N-benzyl-N-(3-bromo-4,5-dimethoxybenzyl)amine, Benzyl-(3-bromo-4,5-dimethoxy-benzyl)-amine, AN-465/42519588, N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylmethanamine
| Molecular Formula | C16H18BrNO2 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 3.7561 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.0521 |
| Heavy Atoms | 20 |
| Complexity | 557.9034 |
Chemical Identifiers
| CAS Number | 880803-85-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)Br)OC |
Product Overview
N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine (CAS 880803-85-0), with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol. IUPAC: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylmethanamine.
Chemical Property Profile of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine
Property Insights of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine
The XLogP value of 3.7561 indicates that N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine 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-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine?
The CAS number of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine is 880803-85-0.
What is the molecular formula of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine?
The molecular formula of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine is C16H18BrNO2.
What is the molecular weight of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine?
The molecular weight of N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine is 335.05 g/mol.
Where can I buy N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine?
You can request a quote for N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.