TL;DR: Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)- (CAS 1208987-00-1) is a chemical compound with molecular formula C17H22N2 and molecular weight 254.1783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2,6-di(propan-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
Also Known As: Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)-, J1.263.854J, J3.060.934D, 2-(2,6-Diisopropylphenyliminomethyl)-1H-pyrrole, AP-372/40907735
| Molecular Formula | C17H22N2 |
| Molecular Weight | 254.1783 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.1783 Da |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N=CC2=CC=CN2 |
| InChIKey | DEUAJESEJNJMBD-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2,6-bis(1-methylethyl)-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, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)- is 1208987-00-1.
The molecular formula of Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)- is C17H22N2.
The molecular weight of Benzenamine, 2,6-bis(1-methylethyl)-N-(1H-pyrrol-2-ylmethylene)- is 254.1783 g/mol.
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