N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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

C178H245F21N20O2 — CID 157445607

IUPACN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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
SMILESCC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.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)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)Cc1ccc(C(C)C)cc1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2.C15H24N2.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H22N2.C14H21NO.C14H23N.2C13H13F3N2.3C8H11N/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(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;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-5-15(6-2)11-13-7-9-14(10-8-13)12(3)4;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;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-5,10-11H,6-9H2,1-3H3;4-7,13H,8-12H2,1-3H3;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;3-6,12,15H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-10,12H,5-6,11H2,1-4H3;2*3-9H,1-2H3;3*3-7H,1-2H3
InChIKeyBSELFCHROJKOPP-UHFFFAOYSA-N
MW3096.01 g/mol
LogP45.30
Rot. Bonds33

About N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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

N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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 (PubChem CID 157445607) has the molecular formula C178H245F21N20O2 and a molecular weight of 3096.01 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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.

Molecular Properties

Compound NameN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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
PubChem CID157445607
Molecular FormulaC178H245F21N20O2
Molecular Weight3096.01 g/mol
Exact Mass3093.93
IUPAC NameN,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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
SMILESCC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.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)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)Cc1ccc(C(C)C)cc1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2.C15H24N2.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H22N2.C14H21NO.C14H23N.2C13H13F3N2.3C8H11N/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(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;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-5-15(6-2)11-13-7-9-14(10-8-13)12(3)4;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;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-5,10-11H,6-9H2,1-3H3;4-7,13H,8-12H2,1-3H3;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;3-6,12,15H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-10,12H,5-6,11H2,1-4H3;2*3-9H,1-2H3;3*3-7H,1-2H3
InChIKeyBSELFCHROJKOPP-UHFFFAOYSA-N
XLogP45.30
TPSA152.47 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003096.01
LogP ≤ 545.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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 with MolForge

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Related Compounds

8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 71664406
8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 71664407
N-[2-methyl-5-[1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127041649
4-[3-[5-Pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine;4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
CID 88172843
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]-5-methylmorpholin-2-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91421822
(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118869516
N-[3-[2-[4-[[4-[4-[5-[1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]morpholin-4-yl]propyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 123743529
2-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-7-[1-methyl-6-[2-morpholin-4-yl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]anilino]pyrimidin-4-yl]indazol-3-yl]indazol-5-amine
CID 129022756
N-[5-(4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 134324557
4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
CID 135313272
N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine
CID 143471197

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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?
The IUPAC name of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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 (CID 157445607) is N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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.
What is the SMILES notation for N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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?
The canonical SMILES for N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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 is CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.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)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)Cc1ccc(C(C)C)cc1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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?
The InChIKey is BSELFCHROJKOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.C15H24N2.C14H19F3N2.C14H18F3NO.C14H18F3N.C14H20F3N.C14H22N2.C14H21NO.C14H23N.2C13H13F3N2.3C8H11N/c1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(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;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-5-15(6-2)11-13-7-9-14(10-8-13)12(3)4;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;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h4-5,10-11H,6-9H2,1-3H3;4-7,13H,8-12H2,1-3H3;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;3-6,12,15H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-10,12H,5-6,11H2,1-4H3;2*3-9H,1-2H3;3*3-7H,1-2H3.
What are the key properties of N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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?
N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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 has a molecular weight of 3096.01 g/mol, XLogP of 45.30, 33 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;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 is sourced from PubChem (CID 157445607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).