Chemical ID: 7042764

Cc1cccc(c1)OCC(CN2CC(OC(C2)C)C)O
Chemical ID:
7042764
Name [?]:
1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CC(OC(C2)C)C)O
InChi [?]:
InChI=1/C16H25NO3/c1-12-5-4-6-16(7-12)19-11-15(18)10-17-8-13(2)20-14(3)9-17/h4-7,13-15,18H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,4,3,5,7,17,13,11,9,2,16,14,10,6,12,20,8,15/E:(2,3)(8,9)(13,14)/rA:20cCCCCCCCOCCCNCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO3
All Atoms:45
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:5.83308
Area:500.246
Solvation:-6.67307
Coulombic:-35.5162
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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