TL;DR: 3',4'-Dimethyl-biphenyl-2-ylamine hydrochloride (CAS 1049748-69-7) is a chemical compound with molecular formula C14H16ClN and molecular weight 233.09712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dimethylphenyl)aniline;hydrochloride
Also Known As: 3',4'-Dimethyl-biphenyl-2-ylamine hydrochloride, 2-(3,4-dimethylphenyl)aniline, 2-(3,4-dimethylphenyl)aniline;hydrochloride, 3',4'-dimethylbiphenyl-2-amine hcl, 3',4'-dimethylbiphenyl-2-ylamine hydrochloride
| Molecular Formula | C14H16ClN |
| Molecular Weight | 233.09712 g/mol |
| XLogP | 3.97444 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.09712 Da |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
| SMILES | CC1=C(C=C(C=C1)C2=CC=CC=C2N)C.Cl |
| InChIKey | PHAVUEGSQXAONE-UHFFFAOYSA-N |
The XLogP value of 3.97444 indicates that 3',4'-Dimethyl-biphenyl-2-ylamine 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',4'-Dimethyl-biphenyl-2-ylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-Dimethyl-biphenyl-2-ylamine 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',4'-Dimethyl-biphenyl-2-ylamine hydrochloride is 1049748-69-7.
The molecular formula of 3',4'-Dimethyl-biphenyl-2-ylamine hydrochloride is C14H16ClN.
The molecular weight of 3',4'-Dimethyl-biphenyl-2-ylamine hydrochloride is 233.09712 g/mol.
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