Chemical ID: 7061733

Cc1ccc(c(c1)OCCCN2CCOCC2)C(C)C
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

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