TL;DR: 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride (CAS 1049731-90-9) is a chemical compound with molecular formula C13H14ClN and molecular weight 219.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methylphenyl)aniline;hydrochloride
Also Known As: 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride, (3'-Methyl-3-biphenylyl)amine hydrochloride, (3'-Methylbiphenyl-3-yl)amine hydrochloride, 3-(3-Methylphenyl)aniline HCl, 3'-Methyl-biphenyl-3-amine
| Molecular Formula | C13H14ClN |
| Molecular Weight | 219.08148 g/mol |
| XLogP | 3.66602 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08148 Da |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
| SMILES | CC1=CC(=CC=C1)C2=CC(=CC=C2)N.Cl |
| InChIKey | ZITYSZFWSXTYAW-UHFFFAOYSA-N |
The XLogP value of 3.66602 indicates that 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride 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 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride is 1049731-90-9.
The molecular formula of 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride is C13H14ClN.
The molecular weight of 3'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride is 219.08148 g/mol.
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