Chemical ID: 6640961

Cc1cc(c(c(c1O)C)C)OCC(CNC(C)C)O
Chemical ID:
6640961
Name [?]:
4-(2-hydroxy-3-isopropylamino-propoxy)-2,3,6-trimethyl-phenol
SMILES [?]:
Cc1cc(c(c(c1O)C)C)OCC(CNC(C)C)O
InChi [?]:
InChI=1/C15H25NO3/c1-9(2)16-7-13(17)8-19-14-6-10(3)15(18)12(5)11(14)4/h6,9,13,16-18H,7-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:17,18,1,10,9,3,14,12,16,2,5,6,13,4,7,15,19,8,11/E:(1,2)/rA:19cCCCCCCCOCCOCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s4;s11;s12;s13;s14;s15;s16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.29743
Area:492.789
Solvation:-5.02229
Coulombic:-47.9562
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.364
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.03
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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