beta,beta-Dimethyl-1H-indole-3-ethanamine
TL;DR: beta,beta-Dimethyl-1H-indole-3-ethanamine (CAS 15467-31-9) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)-2-methylpropan-1-amine
Also Known As: 2-(1H-indol-3-yl)-2-methylpropan-1-amine, beta,beta-Dimethyltryptamine, INDOLE, 3-(2-AMINO-1,1-DIMETHYLETHYL)-, 1H-Indole-3-ethanamine, beta,beta-dimethyl-, 2-indol-3-yl-2-methyl-propylamine
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 15467-31-9 |
|---|---|
| SMILES | CC(C)(CN)C1=CNC2=CC=CC=C21 |
| InChIKey | BRRFYKZLWPFRQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta,beta-Dimethyl-1H-indole-3-ethanamine (CAS 15467-31-9), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(1H-indol-3-yl)-2-methylpropan-1-amine.
Chemical Property Profile of beta,beta-Dimethyl-1H-indole-3-ethanamine
Property Insights of beta,beta-Dimethyl-1H-indole-3-ethanamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta,beta-Dimethyl-1H-indole-3-ethanamine. With a topological polar surface area (TPSA) of 41.8 Ų, beta,beta-Dimethyl-1H-indole-3-ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta,beta-Dimethyl-1H-indole-3-ethanamine has 2 hydrogen bond donor(s) and 1 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 beta,beta-Dimethyl-1H-indole-3-ethanamine?
The CAS number of beta,beta-Dimethyl-1H-indole-3-ethanamine is 15467-31-9.
What is the molecular formula of beta,beta-Dimethyl-1H-indole-3-ethanamine?
The molecular formula of beta,beta-Dimethyl-1H-indole-3-ethanamine is C12H16N2.
What is the molecular weight of beta,beta-Dimethyl-1H-indole-3-ethanamine?
The molecular weight of beta,beta-Dimethyl-1H-indole-3-ethanamine is 188.13 g/mol.
Where can I buy beta,beta-Dimethyl-1H-indole-3-ethanamine?
You can request a quote for beta,beta-Dimethyl-1H-indole-3-ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta,beta-Dimethyl-1H-indole-3-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for beta,beta-Dimethyl-1H-indole-3-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.