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Chemical ID: 7061693
Chemical ID:
7061693
Name [?]:
N-[2-(2,4-dichlorophenoxy)ethyl]-N-isobutyl-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CN(CCOc1ccc(cc1Cl)Cl)CC(C)C
InChi [?]:
InChI=1/C16H25Cl2NO/c1-12(2)10-19(11-13(3)4)7-8-20-16-6-5-14(17)9-15(16)18/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,11,10,6,7,13,4,17,2,18,12,14,9,16,15,5,8/E:(1,2,3,4)(10,11)(12,13)/rA:20nCCCCNCCOCCCCCCClClCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s5;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25Cl2NO |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.842 |
Area: | 505.443 |
Solvation: | -1.79409 |
Coulombic: | -15.3525 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.19 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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