N-(3,4-dimethoxybenzyl)pentan-3-amine
TL;DR: N-(3,4-dimethoxybenzyl)pentan-3-amine (CAS 586394-99-2) is a chemical compound with molecular formula C14H23NO2 and molecular weight 237.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]pentan-3-amine
Also Known As: starbld0028005, N-(3,4-dimethoxybenzyl)pentan-3-amine, N-[(3,4-dimethoxyphenyl)methyl]pentan-3-amine, [(3,4-dimethoxyphenyl)methyl](ethylpropyl)amine, [(3,4-dimethoxyphenyl)methyl](pentan-3-yl)amine
| Molecular Formula | C14H23NO2 |
|---|---|
| Molecular Weight | 237.17 g/mol |
| LogP | 2.982 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.17288 |
| Heavy Atoms | 17 |
| Complexity | 334.99414 |
Chemical Identifiers
| CAS Number | 586394-99-2 |
|---|---|
| SMILES | CCC(CC)NCC1=CC(=C(C=C1)OC)OC |
Product Overview
N-(3,4-dimethoxybenzyl)pentan-3-amine (CAS 586394-99-2), with molecular formula C14H23NO2 and molecular weight 237.17 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]pentan-3-amine.
Chemical Property Profile of N-(3,4-dimethoxybenzyl)pentan-3-amine
Property Insights of N-(3,4-dimethoxybenzyl)pentan-3-amine
The XLogP value of 2.982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxybenzyl)pentan-3-amine. With a topological polar surface area (TPSA) of 30.49 Ų, N-(3,4-dimethoxybenzyl)pentan-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzyl)pentan-3-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-(3,4-dimethoxybenzyl)pentan-3-amine?
The CAS number of N-(3,4-dimethoxybenzyl)pentan-3-amine is 586394-99-2.
What is the molecular formula of N-(3,4-dimethoxybenzyl)pentan-3-amine?
The molecular formula of N-(3,4-dimethoxybenzyl)pentan-3-amine is C14H23NO2.
What is the molecular weight of N-(3,4-dimethoxybenzyl)pentan-3-amine?
The molecular weight of N-(3,4-dimethoxybenzyl)pentan-3-amine is 237.17 g/mol.
Where can I buy N-(3,4-dimethoxybenzyl)pentan-3-amine?
You can request a quote for N-(3,4-dimethoxybenzyl)pentan-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzyl)pentan-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzyl)pentan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.