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Chemical ID: 4399179
Chemical ID:
4399179
Name [?]:
1-diisopropylamino-3-(2-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccccc1OCC(CN(C(C)C)C(C)C)O
InChi [?]:
InChI=1/C16H27NO2/c1-12(2)17(13(3)4)10-15(18)11-19-16-9-7-6-8-14(16)5/h6-9,12-13,15,18H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:14,15,17,18,1,4,5,3,6,11,9,13,16,2,10,7,12,19,8/E:(1,2,3,4)(12,13)/rA:19cCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s13;s12;s16;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.04015 |
Area: | 479.895 |
Solvation: | -3.95721 |
Coulombic: | -30.1544 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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