TL;DR: 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride (CAS 108132-35-0) is a chemical compound with molecular formula C17H20ClNO and molecular weight 289.12335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-(3,4-dihydro-2H-chromen-6-yl)-methylazanium chloride
Also Known As: 2H-1-Benzopyran-6-methylamine, 3,4-dihydro-alpha-benzyl-, hydrochloride, 2H-1-BENZOPYRAN-6-METHANAMINE, 3,4-DIHYDRO-alpha-(PHENYLMETHYL)-, HYDROCHLORIDE, 3,4-Dihydro-alpha-(phenylmethyl)-2H-1-benzopyran-6-methanamine hydrochloride, benzyl-(3,4-dihydro-2H-chromen-6-yl)-methylazanium chloride, n-benzyl-n-methyl-3,4-dihydro-2h-chromen-6-aminium chloride
| Molecular Formula | C17H20ClNO |
| Molecular Weight | 289.12335 g/mol |
| XLogP | -0.64 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12335 Da |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
| SMILES | C[NH+](CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3.[Cl-] |
| InChIKey | NVJDJTVMUAJJJM-UHFFFAOYSA-N |
The XLogP value of -0.64 indicates that 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride is 108132-35-0.
The molecular formula of 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride is C17H20ClNO.
The molecular weight of 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride is 289.12335 g/mol.
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