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Chemical ID: 7061733
Chemical ID:
7061733
Name [?]:
4-[3-(2-isopropyl-5-methyl-phenoxy)propyl]morpholine
SMILES [?]:
Cc1ccc(c(c1)OCCCN2CCOCC2)C(C)C
InChi [?]:
InChI=1/C17H27NO2/c1-14(2)16-6-5-15(3)13-17(16)20-10-4-7-18-8-11-19-12-9-18/h5-6,13-14H,4,7-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,10,3,4,11,13,17,9,14,16,7,18,2,5,6,12,15,8/E:(1,2)(8,9)(11,12)/rA:20nCCCCCCCOCCCNCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s5;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2 |
All Atoms: | 47 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05701 |
Area: | 507.1 |
Solvation: | -3.62048 |
Coulombic: | -21.9719 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 277.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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