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Chemical ID: 4314236
Chemical ID:
4314236
Name [?]:
2-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
SMILES [?]:
CC(C)(C)NCCOc1c(cc(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C12H16Cl3NO/c1-12(2,3)16-4-5-17-11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,7,11,13,12,10,14,9,2,16,17,15,5,8/E:(1,2,3)(6,7)(9,10)(14,15)/rA:17nCCCCNCCOCCCCCCClClCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16Cl3NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37271 |
Area: | 477.316 |
Solvation: | -2.56019 |
Coulombic: | -17.5359 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.62 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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