TL;DR: Benzenamine, 4-(1H-indol-3-ylmethyl)- (CAS 134627-70-6) is a chemical compound with molecular formula C15H14N2 and molecular weight 222.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1H-indol-3-ylmethyl)aniline
Also Known As: 4-(1H-indol-3-ylmethyl)aniline, 4-((1H-Indol-3-yl)methyl)aniline, 4-[(1H-Indol-3-yl)methyl]aniline, Benzenamine, 4-(1H-indol-3-ylmethyl)-, 4-(1H-Indol-3-ylmethyl)-phenylamine
| Molecular Formula | C15H14N2 |
| Molecular Weight | 222.11569 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 41.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.11569 Da |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC3=CC=C(C=C3)N |
| InChIKey | KDXYOBVEKNURNB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Benzenamine, 4-(1H-indol-3-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, Benzenamine, 4-(1H-indol-3-ylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-(1H-indol-3-ylmethyl)- has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenamine, 4-(1H-indol-3-ylmethyl)- is 134627-70-6.
The molecular formula of Benzenamine, 4-(1H-indol-3-ylmethyl)- is C15H14N2.
The molecular weight of Benzenamine, 4-(1H-indol-3-ylmethyl)- is 222.11569 g/mol.
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