TL;DR: 1-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one (CAS 153505-67-0) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
Also Known As: 4-chloro-6-iodo-1,2-phenylenediamine, 1-(2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one, 1-(2,3-Dimethyloxyphenyl)-3-(dimethylamino)-1-propanone hydrochloride, 1-(3-Dimethylaminopropionyl)-2,3-dimethoxybenzene hydrochloride, Propiophenone, 2',3'-dimethoxy-3-(dimethylamino)-, hydrochloride
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.13649 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.13649 Da |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
| SMILES | CN(C)CCC(=O)C1=C(C(=CC=C1)OC)OC |
| InChIKey | BCKCFHDZRUTABC-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one. With a topological polar surface area (TPSA) of 38.8 Ų, 1-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one has 0 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-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one is 153505-67-0.
The molecular formula of 1-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one is C13H19NO3.
The molecular weight of 1-(2,3-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one is 237.13649 g/mol.
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