Benzyl-(3,4-dimethoxy-benzyl)-amine
TL;DR: Benzyl-(3,4-dimethoxy-benzyl)-amine (CAS 39735-79-0) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
Also Known As: Benzyl-(3,4-dimethoxy-benzyl)-amine, Benzyl-(3,4-dimethoxybenzyl)amine, n-benzyl-1-(3,4-dimethoxyphenyl)methanamine, L-GLUCONO-1,5-LACTONE, benzyl (3,4-dimethoxybenzyl)amine
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 39735-79-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)OC |
| InChIKey | JUVDVCSGIUHGPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl-(3,4-dimethoxy-benzyl)-amine (CAS 39735-79-0), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine.
Chemical Property Profile of Benzyl-(3,4-dimethoxy-benzyl)-amine
Property Insights of Benzyl-(3,4-dimethoxy-benzyl)-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-(3,4-dimethoxy-benzyl)-amine. With a topological polar surface area (TPSA) of 30.5 Ų, Benzyl-(3,4-dimethoxy-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-(3,4-dimethoxy-benzyl)-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 Benzyl-(3,4-dimethoxy-benzyl)-amine?
The CAS number of Benzyl-(3,4-dimethoxy-benzyl)-amine is 39735-79-0.
What is the molecular formula of Benzyl-(3,4-dimethoxy-benzyl)-amine?
The molecular formula of Benzyl-(3,4-dimethoxy-benzyl)-amine is C16H19NO2.
What is the molecular weight of Benzyl-(3,4-dimethoxy-benzyl)-amine?
The molecular weight of Benzyl-(3,4-dimethoxy-benzyl)-amine is 257.14 g/mol.
Where can I buy Benzyl-(3,4-dimethoxy-benzyl)-amine?
You can request a quote for Benzyl-(3,4-dimethoxy-benzyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-(3,4-dimethoxy-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-(3,4-dimethoxy-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.