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Chemical ID: 7248043
Chemical ID:
7248043
Name [?]:
1-(1,2-dimethylpropylamino)-3-(2,3,6-trimethylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(c(c1C)OCC(CNC(C)C(C)C)O)C
InChi [?]:
InChI=1/C17H29NO2/c1-11(2)15(6)18-9-16(19)10-20-17-13(4)8-7-12(3)14(17)5/h7-8,11,15-16,18-19H,9-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:17,18,1,20,8,15,3,4,12,10,16,2,5,7,14,11,6,13,19,9/E:(1,2)/rA:20cCCCCCCCCOCCCNCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s13;s14;s14;s16;s16;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO2 |
All Atoms: | 49 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.86687 |
Area: | 514.156 |
Solvation: | -3.98702 |
Coulombic: | -33.9412 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 279.418 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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