TL;DR: RefChem:369165 (CAS 24996-51-8) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(dimethylamino)-4-propan-2-ylphenyl] N-methylcarbamate
Also Known As: N-Methylurethane of hydrochloride of 3-dimethylamino-4-isopropylphenol, Carbamic acid, methyl-, 3-(dimethylamino)-4-isopropylphenyl ester, hydrochloride, 3-(Dimethylamino)-4-isopropylphenol methylcarbamate (ester) hydrochloride, [3-(dimethylamino)-4-propan-2-ylphenyl] N-methylcarbamate, Phenol, 3-(dimethylamino)-4-isopropyl-, methylcarbamate (ester), monohydrochloride
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.15248 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.15248 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CC(C)C1=C(C=C(C=C1)OC(=O)NC)N(C)C |
| InChIKey | FTYZKBRQVSKNSN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:369165. With a topological polar surface area (TPSA) of 41.6 Ų, RefChem:369165 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:369165 has 1 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 RefChem:369165 is 24996-51-8.
The molecular formula of RefChem:369165 is C13H20N2O2.
The molecular weight of RefChem:369165 is 236.15248 g/mol.
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