Chemical ID: 4151113

Cc1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)C(F)(F)F
Chemical ID:
4151113
Name [?]:
2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]-quinolin-4-amine
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2/c1-11-6-7-16-15(8-11)17(9-12(2)22-16)23-14-5-3-4-13(10-14)18(19,20)21/h3-10H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,16,17,15,3,4,7,9,19,2,10,18,14,6,5,8,20,21,22,23,11,13/E:(19,20,21)/rA:23nCCCCCCCCCCNCNCCCCCCCFFF/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s8;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15F3N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.77228
Area:483.284
Solvation:-2.30981
Coulombic:-36.1335
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.32
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.01
LogP (Chemaxon):4.91

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