ChemDB: Chemical Search
Download
Chemical ID: 5007571
Chemical ID:
5007571
Name [?]:
2-dimethylamino-3-phenyl-propan-1-ol
SMILES [?]:
CN(C)C(Cc1ccccc1)CO
InChi [?]:
InChI=1/C11H17NO/c1-12(2)11(9-13)8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,10,7,11,5,12,6,4,2,13/E:(1,2)(4,5)(6,7)/rA:13cCNCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.09673 |
Area: | 346.554 |
Solvation: | -2.56711 |
Coulombic: | -22.8002 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.26 |
LogP (Chemaxon): | 1.81 |
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 |
---|