1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine

C162H199ClF36N18O3 — CID 167562878

IUPAC1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine
SMILESCC(=O)N1CCC(C)CC1.CC1CCCC1.CCN1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(C)cc2C(F)(F)F)CC1.Cc1cc(-n2ccnc2C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(-n2cncc2C)cc(C(F)(F)F)c1.Cc1cc(C)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1.Cc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/2C15H21F3N2.C14H18F3NO.2C13H17F3N2.C13H16F3N.3C12H11F3N2.C12H14F3NO.C9H9F3.C8H6ClF3.C8H15NO.C6H12/c1-3-19-4-6-20(7-5-19)11-13-8-12(2)9-14(10-13)15(16,17)18;1-3-19-6-8-20(9-7-19)11-13-5-4-12(2)10-14(13)15(16,17)18;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-3-4-12(11(9-10)13(14,15)16)18-7-5-17(2)6-8-18;1-10-5-6-12(11(9-10)13(14,15)16)17-7-3-2-4-8-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-8-3-10(12(13,14)15)5-11(4-8)17-7-16-6-9(17)2;1-8-5-10(12(13,14)15)7-11(6-8)17-4-3-16-9(17)2;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-6-3-7(2)5-8(4-6)9(10,11)12;1-5-2-3-7(9)6(4-5)8(10,11)12;1-7-3-5-9(6-4-7)8(2)10;1-6-4-2-3-5-6/h8-10H,3-7,11H2,1-2H3;4-5,10H,3,6-9,11H2,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;3*3-7H,1-2H3;6-8H,2-5H2,1H3;3-5H,1-2H3;2-4H,1H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3
InChIKeyDWYBJRLBKXBKMM-UHFFFAOYSA-N
MW3165.88 g/mol
LogP43.15
Rot. Bonds15

About 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine

1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 167562878) has the molecular formula C162H199ClF36N18O3 and a molecular weight of 3165.88 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine
PubChem CID167562878
Molecular FormulaC162H199ClF36N18O3
Molecular Weight3165.88 g/mol
Exact Mass3163.51
IUPAC Name1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine
SMILESCC(=O)N1CCC(C)CC1.CC1CCCC1.CCN1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(C)cc2C(F)(F)F)CC1.Cc1cc(-n2ccnc2C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(-n2cncc2C)cc(C(F)(F)F)c1.Cc1cc(C)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1.Cc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/2C15H21F3N2.C14H18F3NO.2C13H17F3N2.C13H16F3N.3C12H11F3N2.C12H14F3NO.C9H9F3.C8H6ClF3.C8H15NO.C6H12/c1-3-19-4-6-20(7-5-19)11-13-8-12(2)9-14(10-13)15(16,17)18;1-3-19-6-8-20(9-7-19)11-13-5-4-12(2)10-14(13)15(16,17)18;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-3-4-12(11(9-10)13(14,15)16)18-7-5-17(2)6-8-18;1-10-5-6-12(11(9-10)13(14,15)16)17-7-3-2-4-8-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-8-3-10(12(13,14)15)5-11(4-8)17-7-16-6-9(17)2;1-8-5-10(12(13,14)15)7-11(6-8)17-4-3-16-9(17)2;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-6-3-7(2)5-8(4-6)9(10,11)12;1-5-2-3-7(9)6(4-5)8(10,11)12;1-7-3-5-9(6-4-7)8(2)10;1-6-4-2-3-5-6/h8-10H,3-7,11H2,1-2H3;4-5,10H,3,6-9,11H2,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;3*3-7H,1-2H3;6-8H,2-5H2,1H3;3-5H,1-2H3;2-4H,1H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3
InChIKeyDWYBJRLBKXBKMM-UHFFFAOYSA-N
XLogP43.15
TPSA127.87 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.88
LogP ≤ 543.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;3-methyl-5-(trifluoromethyl)pyridine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 161382636
1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene
CID 160554510
1-[1-[4-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-5-pyrrolidin-1-ylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163774089
2-tert-butyl-1-chloro-4-methylbenzene;2,5-dimethyl-1-(4-methylpentyl)-3-(trifluoromethyl)benzene;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;4-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-1,4-oxazepane;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine;2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine
CID 160606787
1-(1,1-difluoroethoxy)-3-methylbenzene;3-(1,1-difluoroethyl)-5-methylpyridine;1-[(3,5-dimethylphenyl)methyl]-4-methylpiperazine;1,3-dimethyl-5-(trifluoromethyl)benzene;1-methoxy-3-methylbenzene;2-methyl-2-(3-methylphenyl)propanenitrile;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 157440179
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]azocane
CID 163787367
[2-[(3-chloro-5-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(3-chloro-5-methylphenyl)methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 162183213
1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane
CID 161312202
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;(3E)-3-[[2-methyl-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]methylidene]pent-4-en-2-one
CID 143819139
3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole
CID 158410098
N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
CID 71181299
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine (CID 167562878) is 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine is CC(=O)N1CCC(C)CC1.CC1CCCC1.CCN1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(C)cc2C(F)(F)F)CC1.Cc1cc(-n2ccnc2C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(-n2cncc2C)cc(C(F)(F)F)c1.Cc1cc(C)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1.Cc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is DWYBJRLBKXBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21F3N2.C14H18F3NO.2C13H17F3N2.C13H16F3N.3C12H11F3N2.C12H14F3NO.C9H9F3.C8H6ClF3.C8H15NO.C6H12/c1-3-19-4-6-20(7-5-19)11-13-8-12(2)9-14(10-13)15(16,17)18;1-3-19-6-8-20(9-7-19)11-13-5-4-12(2)10-14(13)15(16,17)18;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-3-4-12(11(9-10)13(14,15)16)18-7-5-17(2)6-8-18;1-10-5-6-12(11(9-10)13(14,15)16)17-7-3-2-4-8-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-8-3-10(12(13,14)15)5-11(4-8)17-7-16-6-9(17)2;1-8-5-10(12(13,14)15)7-11(6-8)17-4-3-16-9(17)2;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-6-3-7(2)5-8(4-6)9(10,11)12;1-5-2-3-7(9)6(4-5)8(10,11)12;1-7-3-5-9(6-4-7)8(2)10;1-6-4-2-3-5-6/h8-10H,3-7,11H2,1-2H3;4-5,10H,3,6-9,11H2,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;3*3-7H,1-2H3;6-8H,2-5H2,1H3;3-5H,1-2H3;2-4H,1H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine?
1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 3165.88 g/mol, XLogP of 43.15, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 167562878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).