CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | 6.80e-01 g/L |
| LogP | 2.1 |
| Caco2 Permeability | -4.68 |
| Dissociation Constants | 9.57 |
| Collision Cross Section | 161.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1927 1925 1910 1870 |
| Chemical Classes | Other Uses -> Pharmaceuticals |
COMPUTED DESCRIPTORS
| Molecular Weight | 265.35 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 265.16779360 g/mol |
| Monoisotopic Mass | 265.16779360 g/mol |
| Topological Polar Surface Area | 50.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 246 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)-2-propanol is an aromatic ether.