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Chemical ID: 4151113
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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