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Chemical ID: 4188913
Chemical ID:
4188913
Name [?]:
2-methyl-N-[3-(2,4,6-trichlorophenoxy)propyl]propan-2-amine
SMILES [?]:
CC(C)(C)NCCCOc1c(cc(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C13H18Cl3NO/c1-13(2,3)17-5-4-6-18-12-10(15)7-9(14)8-11(12)16/h7-8,17H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,6,8,12,14,13,11,15,10,2,17,18,16,5,9/E:(1,2,3)(7,8)(10,11)(15,16)/rA:18nCCCCNCCCOCCCCCCClClCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18Cl3NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5971 |
Area: | 511.587 |
Solvation: | -2.1926 |
Coulombic: | -18.1669 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.646 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.08 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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