ChemDB: Chemical Search
Download
Chemical ID: 4397652
Chemical ID:
4397652
Name [?]:
1-(2-chlorophenoxy)-3-dicyclohexylamino-propan-2-ol
SMILES [?]:
c1ccc(c(c1)OCC(CN(C2CCCCC2)C3CCCCC3)O)Cl
InChi [?]:
InChI=1/C21H32ClNO2/c22-20-13-7-8-14-21(20)25-16-19(24)15-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-19,24H,1-6,9-12,15-16H2
InChi Info:
AuxInfo=1/0/N:15,21,14,16,20,22,2,1,13,17,19,23,3,6,10,8,12,18,9,4,5,25,11,24,7/E:(1,2)(3,4,5,6)(9,10,11,12)(17,18)/rA:25cCCCCCCOCCCNCCCCCCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32ClNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1954 |
Area: | 583.631 |
Solvation: | -4.39538 |
Coulombic: | -31.4088 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.937 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.09 |
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 |
---|