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Chemical ID: 6640961
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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