Chemical ID: 4188913

CC(C)(C)NCCCOc1c(cc(cc1Cl)Cl)Cl
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

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