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Chemical ID: 6993974
Chemical ID:
6993974
Name [?]:
1-isopropylamino-3-(2-isopropylphenoxy)-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CNC(C)C)O
InChi [?]:
InChI=1/C15H25NO2/c1-11(2)14-7-5-6-8-15(14)18-10-13(17)9-16-12(3)4/h5-8,11-13,16-17H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,6,7,5,8,13,11,2,15,12,4,9,14,18,10/E:(1,2)(3,4)/rA:18cCCCCCCCCCOCCCNCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.87563 |
Area: | 484.029 |
Solvation: | -4.22509 |
Coulombic: | -33.9286 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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