Chemical ID: 4440955

Cc1cccc(c1OCCCN2CC(OC(C2)C)C)C
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

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