N-(2,3,4-Trimethoxybenzyl)propan-2-amine
TL;DR: N-(2,3,4-Trimethoxybenzyl)propan-2-amine (CAS 418782-90-8) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,3,4-trimethoxyphenyl)methyl]propan-2-amine
Also Known As: N-(2,3,4-TRIMETHOXYBENZYL)PROPAN-2-AMINE, N-[(2,3,4-trimethoxyphenyl)methyl]propan-2-amine, CHEMBRDG-BB5556560, CHEMBRDG-BB 5556560, (propan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 2.2104 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 363.92737 |
Chemical Identifiers
| CAS Number | 418782-90-8 |
|---|---|
| SMILES | CC(C)NCC1=C(C(=C(C=C1)OC)OC)OC |
Product Overview
N-(2,3,4-Trimethoxybenzyl)propan-2-amine (CAS 418782-90-8), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: N-[(2,3,4-trimethoxyphenyl)methyl]propan-2-amine.
Chemical Property Profile of N-(2,3,4-Trimethoxybenzyl)propan-2-amine
Property Insights of N-(2,3,4-Trimethoxybenzyl)propan-2-amine
The XLogP value of 2.2104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3,4-Trimethoxybenzyl)propan-2-amine. With a topological polar surface area (TPSA) of 39.72 Ų, N-(2,3,4-Trimethoxybenzyl)propan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3,4-Trimethoxybenzyl)propan-2-amine has 1 hydrogen bond donor(s) and 4 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-(2,3,4-Trimethoxybenzyl)propan-2-amine?
The CAS number of N-(2,3,4-Trimethoxybenzyl)propan-2-amine is 418782-90-8.
What is the molecular formula of N-(2,3,4-Trimethoxybenzyl)propan-2-amine?
The molecular formula of N-(2,3,4-Trimethoxybenzyl)propan-2-amine is C13H21NO3.
What is the molecular weight of N-(2,3,4-Trimethoxybenzyl)propan-2-amine?
The molecular weight of N-(2,3,4-Trimethoxybenzyl)propan-2-amine is 239.15 g/mol.
Where can I buy N-(2,3,4-Trimethoxybenzyl)propan-2-amine?
You can request a quote for N-(2,3,4-Trimethoxybenzyl)propan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3,4-Trimethoxybenzyl)propan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3,4-Trimethoxybenzyl)propan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.