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Chemical ID: 5229806
Chemical ID:
5229806
Name [?]:
1-(2-cyclopropylphenoxy)-3-isopropylamino-propan-2-ol
SMILES [?]:
CC(C)NCC(COc1ccccc1C2CC2)O
InChi [?]:
InChI=1/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-12/h3-6,11-13,16-17H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,13,10,16,17,5,7,2,15,6,14,9,4,18,8/E:(1,2)(7,8)/rA:18cCCCNCCCOCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s15s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.73405 |
Area: | 478.55 |
Solvation: | -4.22971 |
Coulombic: | -33.5724 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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