1-(3,4-Dimethoxyphenyl)butan-2-amine
TL;DR: 1-(3,4-Dimethoxyphenyl)butan-2-amine (CAS 55174-55-5) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)butan-2-amine
Also Known As: 1-(3,4-dimethoxyphenyl)butan-2-amine, 1-(3,4-dimethoxy-benzyl)-propylamine, 1-(3,4-Dimethoxyphenyl)butane-2-amine, Benzeneethanamine, alpha-ethyl-3,4-dimethoxy-, J2.025.142E
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 55174-55-5 |
|---|---|
| SMILES | CCC(CC1=CC(=C(C=C1)OC)OC)N |
| InChIKey | FLPWBPAEWBUYLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dimethoxyphenyl)butan-2-amine (CAS 55174-55-5), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)butan-2-amine.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)butan-2-amine
Property Insights of 1-(3,4-Dimethoxyphenyl)butan-2-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)butan-2-amine. With a topological polar surface area (TPSA) of 44.5 Ų, 1-(3,4-Dimethoxyphenyl)butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)butan-2-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 1-(3,4-Dimethoxyphenyl)butan-2-amine?
The CAS number of 1-(3,4-Dimethoxyphenyl)butan-2-amine is 55174-55-5.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)butan-2-amine?
The molecular formula of 1-(3,4-Dimethoxyphenyl)butan-2-amine is C12H19NO2.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)butan-2-amine?
The molecular weight of 1-(3,4-Dimethoxyphenyl)butan-2-amine is 209.14 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)butan-2-amine?
You can request a quote for 1-(3,4-Dimethoxyphenyl)butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.