TL;DR: 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)- (CAS 104179-37-5) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(dimethylamino)phenoxy]propane-1,2-diol
Also Known As: 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)-, 2-Butoxy-5-methoxy-phenylamine, 3-[3-(dimethylamino)phenoxy]propane-1,2-diol, 3-(m-(Dimethylamino)phenoxy)-1,2-propanediol, 4-13-00-00960 (Beilstein Handbook Reference)
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.12085 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.12085 Da |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
| SMILES | CN(C)C1=CC(=CC=C1)OCC(CO)O |
| InChIKey | HYSMJIAKWZNJCP-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)-. With a topological polar surface area (TPSA) of 52.9 Ų, 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)- is 104179-37-5.
The molecular formula of 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)- is C11H17NO3.
The molecular weight of 1,2-Propanediol, 3-(m-(dimethylamino)phenoxy)- is 211.12085 g/mol.
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