Chemical ID: 5760243

Cc1cccc(c1OCC(CN2CCOCC2)O)C
Chemical ID:
5760243
Name [?]:
1-(2,6-dimethylphenoxy)-3-morpholino-propan-2-ol
SMILES [?]:
Cc1cccc(c1OCC(CN2CCOCC2)O)C
InChi [?]:
InChI=1/C15H23NO3/c1-12-4-3-5-13(2)15(12)19-11-14(17)10-16-6-8-18-9-7-16/h3-5,14,17H,6-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,4,3,5,13,17,14,16,11,9,2,6,10,7,12,18,15,8/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:19cCCCCCCCOCCCNCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:6.25686
Area:467.696
Solvation:-5.43554
Coulombic:-37.2788
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.17
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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