ChemDB: Chemical Search
Download
Chemical ID: 4255541
Chemical ID:
4255541
Name [?]:
1-(2-naphthyloxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)(C)NCC(COc1ccc2ccccc2c1)O
InChi [?]:
InChI=1/C17H23NO2/c1-17(2,3)18-11-15(19)12-20-16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,18-19H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,14,17,12,11,19,6,8,13,18,7,10,2,5,20,9/E:(1,2,3)/rA:20cCCCCNCCCOCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.86733 |
Area: | 493.958 |
Solvation: | -4.48162 |
Coulombic: | -33.9376 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.44 |
LogP (Chemaxon): | 2.88 |
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 |
---|