TL;DR: 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]- (CAS 71173-78-9) is a chemical compound with molecular formula C10H11ClN2O2 and molecular weight 226.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloro-5-nitrophenyl)-N-propan-2-ylmethanimine
Also Known As: 1-Chloro-2-isopropyliminomethyl-4-nitrobenzene, 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]-, 2-Propanamine, N-((2-chloro-5-nitrophenyl)methylene)-, 1-(2-chloro-5-nitrophenyl)-N-propan-2-ylmethanimine, 2,4-DIAMINO-6-PHENYL-1,3,5-TRIAZINE
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.0509 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0509 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | CC(C)N=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| InChIKey | ROZKXRIKKOBONW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]-. With a topological polar surface area (TPSA) of 58.2 Ų, 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]- is 71173-78-9.
The molecular formula of 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]- is C10H11ClN2O2.
The molecular weight of 2-Propanamine, N-[(2-chloro-5-nitrophenyl)methylene]- is 226.0509 g/mol.
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