N-benzyl(3,4-dimethoxyphenyl)methanaminium
TL;DR: N-benzyl(3,4-dimethoxyphenyl)methanaminium (CAS 13174-24-8) is a chemical compound with molecular formula C16H20NO2+ and molecular weight 258.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[(3,4-dimethoxyphenyl)methyl]azanium
Also Known As: Benzyl-(3,4-dimethoxybenzyl)amine, N-benzyl(3,4-dimethoxyphenyl)methanaminium, benzyl-[(3,4-dimethoxyphenyl)methyl]azanium
| Molecular Formula | C16H20NO2+ |
|---|---|
| Molecular Weight | 258.15 g/mol |
| LogP | 1.9674 |
| Topological Polar Surface Area | 35.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.1494 |
| Heavy Atoms | 19 |
| Complexity | 511.41232 |
Chemical Identifiers
| CAS Number | 13174-24-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CC=C2)OC |
Product Overview
N-benzyl(3,4-dimethoxyphenyl)methanaminium (CAS 13174-24-8), with molecular formula C16H20NO2+ and molecular weight 258.15 g/mol. IUPAC: benzyl-[(3,4-dimethoxyphenyl)methyl]azanium.
Chemical Property Profile of N-benzyl(3,4-dimethoxyphenyl)methanaminium
Property Insights of N-benzyl(3,4-dimethoxyphenyl)methanaminium
The XLogP value of 1.9674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl(3,4-dimethoxyphenyl)methanaminium. With a topological polar surface area (TPSA) of 35.07 Ų, N-benzyl(3,4-dimethoxyphenyl)methanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl(3,4-dimethoxyphenyl)methanaminium 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-benzyl(3,4-dimethoxyphenyl)methanaminium?
The CAS number of N-benzyl(3,4-dimethoxyphenyl)methanaminium is 13174-24-8.
What is the molecular formula of N-benzyl(3,4-dimethoxyphenyl)methanaminium?
The molecular formula of N-benzyl(3,4-dimethoxyphenyl)methanaminium is C16H20NO2+.
What is the molecular weight of N-benzyl(3,4-dimethoxyphenyl)methanaminium?
The molecular weight of N-benzyl(3,4-dimethoxyphenyl)methanaminium is 258.15 g/mol.
Where can I buy N-benzyl(3,4-dimethoxyphenyl)methanaminium?
You can request a quote for N-benzyl(3,4-dimethoxyphenyl)methanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl(3,4-dimethoxyphenyl)methanaminium?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl(3,4-dimethoxyphenyl)methanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.