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Chemical ID: 7027369
Chemical ID:
7027369
Name [?]:
1-(cyclohexyl-ethyl-amino)-3-(2-fluorophenoxy)-propan-2-ol
SMILES [?]:
CCN(CC(COc1ccccc1F)O)C2CCCCC2
InChi [?]:
InChI=1/C17H26FNO2/c1-2-19(14-8-4-3-5-9-14)12-15(20)13-21-17-11-7-6-10-16(17)18/h6-7,10-11,14-15,20H,2-5,8-9,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,11,10,17,21,12,9,4,6,16,5,13,8,14,3,15,7/E:(4,5)(8,9)/rA:21cCCNCCCOCCCCCCFOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5;s3;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26FNO2 |
All Atoms: | 47 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.90766 |
Area: | 505.46 |
Solvation: | -5.72885 |
Coulombic: | -33.6312 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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