2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
TL;DR: 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile (CAS 113772-12-6) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile
Also Known As: 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile, 2330AA, 2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile, 2-(1-PHENYLCYCLOBUTYL)ACETIC ACID, aminomethoxybenzyltetrahydroindolecarbonitrile
Technical Specifications
| Molecular Formula | C17H19N3O |
| Molecular Weight | 281.1528 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1528 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | COC1=CC=C(C=C1)CN2C3=C(CCCC3)C(=C2N)C#N |
| InChIKey | HMITZZIOYJRWFM-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
Property Insights of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
The XLogP value of 3.4 indicates that 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile 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
What is the CAS number of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The CAS number of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 113772-12-6.
What is the molecular formula of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular formula of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is C17H19N3O.
What is the molecular weight of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
The molecular weight of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile is 281.1528 g/mol.
Where can I buy 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
You can request a quote for 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.