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Chemical ID: 7533669
Chemical ID:
7533669
Name [?]:
1-[3-(3-isopropyl-5-methyl-phenoxy)propylamino]propan-2-ol
SMILES [?]:
Cc1cc(cc(c1)OCCCNCC(C)O)C(C)C
InChi [?]:
InChI=1/C16H27NO2/c1-12(2)15-8-13(3)9-16(10-15)19-7-5-6-17-11-14(4)18/h8-10,12,14,17-18H,5-7,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,19,1,15,10,11,9,3,7,5,13,17,2,14,4,6,12,16,8/E:(1,2)/rA:19cCCCCCCCOCCCNCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s14;s4;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 46 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.97589 |
Area: | 517.552 |
Solvation: | -3.96292 |
Coulombic: | -33.7385 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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