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Chemical ID: 6212709
Chemical ID:
6212709
Name [?]:
1-(2-isopropylphenoxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CNC(C)(C)C)O
InChi [?]:
InChI=1/C16H27NO2/c1-12(2)14-8-6-7-9-15(14)19-11-13(18)10-17-16(3,4)5/h6-9,12-13,17-18H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,18,6,7,5,8,13,11,2,12,4,9,15,14,19,10/E:(1,2)(3,4,5)/rA:19cCCCCCCCCCOCCCNCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.22803 |
Area: | 498.183 |
Solvation: | -4.22654 |
Coulombic: | -33.9423 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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