Chemical ID: 7248043

Cc1ccc(c(c1C)OCC(CNC(C)C(C)C)O)C
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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Descriptor Annotations

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