Chemical ID: 6131376

Cc1cccc(c1)OCC(CN2CCOCC2)O
Chemical ID:
6131376
Name [?]:
1-(3-methylphenoxy)-3-morpholino-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CCOCC2)O
InChi [?]:
InChI=1/C14H21NO3/c1-12-3-2-4-14(9-12)18-11-13(16)10-15-5-7-17-8-6-15/h2-4,9,13,16H,5-8,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,13,17,14,16,7,11,9,2,10,6,12,18,15,8/E:(5,6)(7,8)/rA:18cCCCCCCCOCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.68133
Area:456.517
Solvation:-5.73161
Coulombic:-36.879
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):1.53

Name Annotations

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Descriptor Annotations

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