ChemDB: Chemical Search
Download
Chemical ID: 4986327
Chemical ID:
4986327
Name [?]:
2-[ethyl-(2-hydroxy-2-phenyl-ethyl)-amino]ethanol
SMILES [?]:
CCN(CCO)CC(c1ccccc1)O
InChi [?]:
InChI=1/C12H19NO2/c1-2-13(8-9-14)10-12(15)11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,4,5,7,9,8,3,6,15/E:(4,5)(6,7)/rA:15cCCNCCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;s3;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.61936 |
Area: | 407.531 |
Solvation: | -4.56891 |
Coulombic: | -38.6387 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.88 |
LogP (Chemaxon): | 1.46 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|