ChemDB: Chemical Search
Download
Chemical ID: 4256027
Chemical ID:
4256027
Name [?]:
1-(3-methoxyphenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol
SMILES [?]:
CC(C)(C)CC(C)(C)NCC(COc1cccc(c1)OC)O
InChi [?]:
InChI=1/C18H31NO3/c1-17(2,3)13-18(4,5)19-11-14(20)12-22-16-9-7-8-15(10-16)21-6/h7-10,14,19-20H,11-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,21,16,17,15,19,10,12,5,11,18,14,2,6,9,22,20,13/E:(1,2,3)(4,5)/rA:22cCCCCCCCCNCCCOCCCCCCOCO/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.92018 |
Area: | 534.516 |
Solvation: | -5.44272 |
Coulombic: | -40.4106 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 309.444 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.25 |
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 |
---|