TL;DR: Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)- (CAS 139954-09-9) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
Also Known As: Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)-, 2-methyl-N-(pyrrol-2-ylidenemethyl)aniline, 2-methyl-N-[(Z)-pyrrol-2-ylidenemethyl]aniline, 2-(2-Methylphenyliminomethyl)-1H-pyrrole, N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
| Molecular Formula | C12H12N2 |
| Molecular Weight | 184.10005 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10005 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | CC1=CC=CC=C1N=CC2=CC=CN2 |
| InChIKey | LEFRYIDABTZPPH-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)-. With a topological polar surface area (TPSA) of 28.2 Ų, Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)- has 1 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, 2-methyl-N-(1H-pyrrol-2-ylmethylene)- is 139954-09-9.
The molecular formula of Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)- is C12H12N2.
The molecular weight of Benzenamine, 2-methyl-N-(1H-pyrrol-2-ylmethylene)- is 184.10005 g/mol.
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