ChemDB: Chemical Search
Download
Chemical ID: 7042777
Chemical ID:
7042777
Name [?]:
2-[2-hydroxy-3-(3-methylphenoxy)-propyl]amino-2-methyl-propan-1-ol
SMILES [?]:
Cc1cccc(c1)OCC(CNC(C)(C)CO)O
InChi [?]:
InChI=1/C14H23NO3/c1-11-5-4-6-13(7-11)18-9-12(17)8-15-14(2,3)10-16/h4-7,12,15-17H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,3,5,7,11,9,16,2,10,6,13,12,17,18,8/E:(2,3)/rA:18cCCCCCCCOCCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s13;s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO3 |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.79898 |
Area: | 472.159 |
Solvation: | -5.005 |
Coulombic: | -50.2735 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 253.337 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.55 |
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 |
---|