Chemical ID: 4314236

CC(C)(C)NCCOc1c(cc(cc1Cl)Cl)Cl
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

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