N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide

C248H326F36N24O13 — CID 159970954

IUPACN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(N(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(NC(=O)C(F)(F)F)cc1.CC(C)c1ccc(OCC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(N2CCCC2)c1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.CNC(=O)c1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2.C15H20F3NO.C15H22N2O.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H20N2O.C14H19NO2.2C13H13F3N2.C13H18F3NO.C12H16F3N.C12H15F3O.C12H17NO.C11H12F3NO.3C11H15NO/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-11(2)12-5-6-14(20-10-15(16,17)18)13(9-12)19-7-3-4-8-19;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-10(2)11-5-6-13(18-7-3-4-8-18)12(9-11)14(15,16)17;1-5-18(6-2)13-8-7-11(10(3)4)9-12(13)14(15,16)17;1-11(2)12-3-5-13(6-4-12)14(17)16-9-7-15-8-10-16;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-6-12(11(7-10)17(3)4)18-8-13(14,15)16;1-8(2)9-5-6-11(16(3)4)10(7-9)12(13,14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)10-5-4-6-11(7-10)12-9(3)13/h4-5,10-11H,6-9H2,1-3H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-10H,5-6H2,1-4H3;3-6,11,15H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*3-9H,1-2H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-9H,1-4H3;3-7H,1-2H3,(H,15,16);3*4-8H,1-3H3,(H,12,13)
InChIKeyOENSKKXNBCWSGK-UHFFFAOYSA-N
MW4535.42 g/mol
LogP63.60
Rot. Bonds45

About N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide

N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 159970954) has the molecular formula C248H326F36N24O13 and a molecular weight of 4535.42 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
PubChem CID159970954
Molecular FormulaC248H326F36N24O13
Molecular Weight4535.42 g/mol
Exact Mass4532.50
IUPAC NameN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(N(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(NC(=O)C(F)(F)F)cc1.CC(C)c1ccc(OCC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(N2CCCC2)c1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.CNC(=O)c1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2.C15H20F3NO.C15H22N2O.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H20N2O.C14H19NO2.2C13H13F3N2.C13H18F3NO.C12H16F3N.C12H15F3O.C12H17NO.C11H12F3NO.3C11H15NO/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-11(2)12-5-6-14(20-10-15(16,17)18)13(9-12)19-7-3-4-8-19;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-10(2)11-5-6-13(18-7-3-4-8-18)12(9-11)14(15,16)17;1-5-18(6-2)13-8-7-11(10(3)4)9-12(13)14(15,16)17;1-11(2)12-3-5-13(6-4-12)14(17)16-9-7-15-8-10-16;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-6-12(11(7-10)17(3)4)18-8-13(14,15)16;1-8(2)9-5-6-11(16(3)4)10(7-9)12(13,14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)10-5-4-6-11(7-10)12-9(3)13/h4-5,10-11H,6-9H2,1-3H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-10H,5-6H2,1-4H3;3-6,11,15H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*3-9H,1-2H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-9H,1-4H3;3-7H,1-2H3,(H,15,16);3*4-8H,1-3H3,(H,12,13)
InChIKeyOENSKKXNBCWSGK-UHFFFAOYSA-N
XLogP63.60
TPSA335.89 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds45
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004535.42
LogP ≤ 563.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide (CID 159970954) is N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide is CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)Nc1cccc(C(C)C)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(N(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(NC(=O)C(F)(F)F)cc1.CC(C)c1ccc(OCC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(N2CCCC2)c1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.CNC(=O)c1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1OCC(F)(F)F.
What is the InChIKey of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OENSKKXNBCWSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.C15H20F3NO.C15H22N2O.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H20N2O.C14H19NO2.2C13H13F3N2.C13H18F3NO.C12H16F3N.C12H15F3O.C12H17NO.C11H12F3NO.3C11H15NO/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-11(2)12-5-6-14(20-10-15(16,17)18)13(9-12)19-7-3-4-8-19;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-10(2)11-5-6-13(18-7-3-4-8-18)12(9-11)14(15,16)17;1-5-18(6-2)13-8-7-11(10(3)4)9-12(13)14(15,16)17;1-11(2)12-3-5-13(6-4-12)14(17)16-9-7-15-8-10-16;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-6-12(11(7-10)17(3)4)18-8-13(14,15)16;1-8(2)9-5-6-11(16(3)4)10(7-9)12(13,14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)10-5-4-6-11(7-10)12-9(3)13/h4-5,10-11H,6-9H2,1-3H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-10H,5-6H2,1-4H3;3-6,11,15H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;2*3-9H,1-2H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-9H,1-4H3;3-7H,1-2H3,(H,15,16);3*4-8H,1-3H3,(H,12,13).
What are the key properties of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 4535.42 g/mol, XLogP of 63.60, 45 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(3-propan-2-ylphenyl)acetamide;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 159970954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).