Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-
TL;DR: Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- (CAS 14487-95-7) is a chemical compound with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1H-indol-3-yl)-2-methylpropan-1-amine
Also Known As: 5-Chloro-beta,beta-dimethyltryptamine, 2-(5-chloro-1H-indol-3-yl)-2-methylpropan-1-amine, INDOLE, 5-CHLORO-3-(2-AMINO-1,1-DIMETHYLETHYL)-, 5-22-10-00185 (Beilstein Handbook Reference), 2-(5-chloro-indol-3-yl)-2-methyl-propylamine
| Molecular Formula | C12H15ClN2 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09238 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 14487-95-7 |
|---|---|
| SMILES | CC(C)(CN)C1=CNC2=C1C=C(C=C2)Cl |
| InChIKey | QDTMEDNJIZALMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- (CAS 14487-95-7), with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol. IUPAC: 2-(5-chloro-1H-indol-3-yl)-2-methylpropan-1-amine.
Chemical Property Profile of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-
Property Insights of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 41.8 Ų, Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- 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 Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-?
The CAS number of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- is 14487-95-7.
What is the molecular formula of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-?
The molecular formula of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- is C12H15ClN2.
What is the molecular weight of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-?
The molecular weight of Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- is 222.09 g/mol.
Where can I buy Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-?
You can request a quote for Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.