Chemical ID: 6212705

CC(C)c1ccccc1OCC(CN2CCOCC2)O
Chemical ID:
6212705
Name [?]:
1-(2-isopropylphenoxy)-3-morpholino-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CN2CCOCC2)O
InChi [?]:
InChI=1/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,5,8,15,19,16,18,13,11,2,12,4,9,14,20,17,10/E:(1,2)(7,8)(9,10)/rA:20cCCCCCCCCCOCCCNCCOCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.8445
Area:498.657
Solvation:-5.62192
Coulombic:-37.717
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.91
LogP (Chemaxon):2.25

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