TL;DR: 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) (CAS 101832-77-3) is a chemical compound with molecular formula C16H17ClN2 and molecular weight 272.10803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-benzyl-1H-indol-5-yl)methylazanium chloride
Also Known As: 5-Aminomethyl-3-benzyl indole hydrochloride, INDOLE, 5-(AMINOMETHYL)-3-BENZYL-, HYDROCHLORIDE, (3-benzyl-1h-indol-5-yl)methanaminium chloride, (3-benzyl-1H-indol-5-yl)methylazanium chloride, 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1)
| Molecular Formula | C16H17ClN2 |
| Molecular Weight | 272.10803 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.10803 Da |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
| SMILES | C1=CC=C(C=C1)CC2=CNC3=C2C=C(C=C3)C[NH3+].[Cl-] |
| InChIKey | BXIVZBHWLMYNMB-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) 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 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) is 101832-77-3.
The molecular formula of 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) is C16H17ClN2.
The molecular weight of 1-(3-Benzyl-1H-indol-5-yl)methanamine--hydrogen chloride (1/1) is 272.10803 g/mol.
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