TL;DR: 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol (CAS 158900-81-3) is a chemical compound with molecular formula C11H18N2O and molecular weight 194.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(dimethylamino)ethylamino]methyl]phenol
Also Known As: 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol, 2-[(2-dimethylaminoethylamino)methyl]phenol, 2-[[2-(dimethylamino)ethylamino]methyl]phenol, 2-(((2-(Dimethylamino)ethyl)amino)methyl)phenol, 2-[2-(Dimethylamino)ethylaminomethyl]phenol
| Molecular Formula | C11H18N2O |
| Molecular Weight | 194.1419 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.1419 Da |
| Heavy Atoms | 14 |
| Complexity | 150.0 |
| SMILES | CN(C)CCNCC1=CC=CC=C1O |
| InChIKey | MKJWJYZYPVDSKG-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol. With a topological polar surface area (TPSA) of 35.5 Ų, 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol has 2 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-({[2-(dimethylamino)ethyl]amino}methyl)phenol is 158900-81-3.
The molecular formula of 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol is C11H18N2O.
The molecular weight of 2-({[2-(dimethylamino)ethyl]amino}methyl)phenol is 194.1419 g/mol.
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