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Chemical ID: 4440955
Chemical ID:
4440955
Name [?]:
4-[3-(2,6-dimethylphenoxy)propyl]-2,6-dimethyl-morpholine
SMILES [?]:
Cc1cccc(c1OCCCN2CC(OC(C2)C)C)C
InChi [?]:
InChI=1/C17H27NO2/c1-13-7-5-8-14(2)17(13)19-10-6-9-18-11-15(3)20-16(4)12-18/h5,7-8,15-16H,6,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,18,19,4,10,3,5,11,9,17,13,2,6,16,14,7,12,8,15/E:(1,2)(3,4)(7,8)(11,12)(13,14)(15,16)/rA:20cCCCCCCCOCCCNCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.45554 |
Area: | 503.963 |
Solvation: | -4.14353 |
Coulombic: | -20.591 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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