N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide

C230H300F30N24O12 — CID 158062754

IUPACN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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)c1cccc(NC(=O)C(F)(F)F)c1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.CNC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H21F3N2.C15H22N2O.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H20N2O.C14H19NO2.2C13H13F3N2.C12H16F3N.C12H17NO.2C11H12F3NO.4C11H15NO/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;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;1-8(2)9-5-6-11(16(3)4)10(7-9)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;1-7(2)8-4-3-5-9(6-8)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)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)12-9(3)13/h4-5,10-11H,6-9H2,1-3H3;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;5-8H,1-4H3;5-9H,1-4H3;2*3-7H,1-2H3,(H,15,16);4*4-8H,1-3H3,(H,12,13)
InChIKeyFKVRAANBBXLUHA-UHFFFAOYSA-N
MW4163.03 g/mol
LogP56.86
Rot. Bonds38

About N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 158062754) has the molecular formula C230H300F30N24O12 and a molecular weight of 4163.03 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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
PubChem CID158062754
Molecular FormulaC230H300F30N24O12
Molecular Weight4163.03 g/mol
Exact Mass4160.31
IUPAC NameN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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)c1cccc(NC(=O)C(F)(F)F)c1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.CNC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H21F3N2.C15H22N2O.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H20N2O.C14H19NO2.2C13H13F3N2.C12H16F3N.C12H17NO.2C11H12F3NO.4C11H15NO/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;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;1-8(2)9-5-6-11(16(3)4)10(7-9)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;1-7(2)8-4-3-5-9(6-8)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)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)12-9(3)13/h4-5,10-11H,6-9H2,1-3H3;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;5-8H,1-4H3;5-9H,1-4H3;2*3-7H,1-2H3,(H,15,16);4*4-8H,1-3H3,(H,12,13)
InChIKeyFKVRAANBBXLUHA-UHFFFAOYSA-N
XLogP56.86
TPSA359.92 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004163.03
LogP ≤ 556.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

US20240368194, Example 34
CID 167439975
US20240368194, Example 25
CID 167439998
US20240190847, Example 19
CID 170558580
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 58973149
1-Methyl-3-[4-[4-morpholin-4-yl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;1-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
CID 87606159
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[5-methyl-2-[6-[methyl-[[3-[[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]benzoyl]amino]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]benzamide
CID 89276807
(2-Imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123228048
[3-[[2-[2-[4,4-Difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbonyl]-4-methylphenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123233507
[5-Methyl-2-[1-[1-[1-(5-methyl-2-pyrimidin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]-3-morpholin-4-ylpropan-2-yl]pyrazol-4-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123337381
N-[3-[2-[1-[2-[2-[2-[3,5-dimethyl-1-[[2-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]pyrazol-4-yl]-6-morpholin-4-yl-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]ethyl]pyrazol-4-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425732
N-methyl-4-[3-[[5-[[4-(methylaminomethyl)-3-(trifluoromethyl)benzoyl]amino]-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-2-yl]methyl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine-2-carboxamide
CID 130425810
[5-methyl-2-[1-[1-[(2S)-1-(5-methyl-2-pyrimidin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]-3-morpholin-4-ylpropan-2-yl]pyrazol-4-yl]phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 134408400

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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide (CID 158062754) is N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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)c1cccc(NC(=O)C(F)(F)F)c1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.CNC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1cccc(C(C)C)c1.
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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FKVRAANBBXLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.C15H22N2O.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H20N2O.C14H19NO2.2C13H13F3N2.C12H16F3N.C12H17NO.2C11H12F3NO.4C11H15NO/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;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;1-8(2)9-5-6-11(16(3)4)10(7-9)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;1-7(2)8-4-3-5-9(6-8)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)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)12-9(3)13/h4-5,10-11H,6-9H2,1-3H3;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;5-8H,1-4H3;5-9H,1-4H3;2*3-7H,1-2H3,(H,15,16);4*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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 4163.03 g/mol, XLogP of 56.86, 38 rotatable bonds, 8 hydrogen bond donors, and 26 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-4-propan-2-yl-2-(trifluoromethyl)aniline;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;N-methyl-4-propan-2-ylbenzamide;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-[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-(3-propan-2-ylphenyl)acetamide;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 158062754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).