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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

C188H245F36N28O2+ — CID 158476129

IUPACN,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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESCc1cc(-n2cc[n+](C)c2)cc(C(F)(F)F)c1.Cc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(CN2CCNCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(Nc2ccn[nH]2)cc(C(F)(F)F)c1.Cc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.Cc1ccc(CN2CCC(N(C)C)C2)cc1.Cc1ccc(CN2CCC(O)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(CN2CCNCC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.Cc1ccc(CNCCN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(Cn2cnc(C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N3.C15H21F3N2.2C14H19F3N2.C14H18F3NO.C14H22N2.C13H17F3N2.C13H13F3N2.2C13H17F3N2.C13H16F3NO.C13H20N2.C12H12F3N2.C11H10F3N3/c1-13-3-4-14(15(11-13)16(17,18)19)12-20-5-6-22-9-7-21(2)8-10-22;1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3;1-11-7-12(9-13(8-11)14(15,16)17)10-19-5-3-18(2)4-6-19;1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-10-2-3-11(13(8-10)14(15,16)17)9-18-6-4-12(19)5-7-18;1-12-4-6-13(7-5-12)10-16-9-8-14(11-16)15(2)3;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-9-3-4-11(12(5-9)13(14,15)16)7-18-6-10(2)17-8-18;1-10-6-11(8-12(7-10)13(14,15)16)9-18-4-2-17-3-5-18;1-10-2-3-11(12(8-10)13(14,15)16)9-18-6-4-17-5-7-18;1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-9-5-10(12(13,14)15)7-11(6-9)17-4-3-16(2)8-17;1-7-4-8(11(12,13)14)6-9(5-7)16-10-2-3-15-17-10/h3-4,11,20H,5-10,12H2,1-2H3;4-5,8,13H,6-7,9-10H2,1-3H3;7-9H,3-6,10H2,1-2H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,12,19H,4-7,9H2,1H3;4-7,14H,8-11H2,1-3H3;7-9H,3-6H2,1-2H3;3-6,8H,7H2,1-2H3;6-8,17H,2-5,9H2,1H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;3-6H,7-11H2,1-2H3;3-8H,1-2H3;2-6H,1H3,(H2,15,16,17)/q;;;;;;;;;;;;+1;
InChIKeyMYTFLZQOOMIYLA-UHFFFAOYSA-N
MW3613.15 g/mol
LogP37.99
Rot. Bonds31

About 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 158476129) has the molecular formula C188H245F36N28O2+ and a molecular weight of 3613.15 g/mol. Its IUPAC name is 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN,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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID158476129
Molecular FormulaC188H245F36N28O2+
Molecular Weight3613.15 g/mol
Exact Mass3610.94
IUPAC NameN,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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESCc1cc(-n2cc[n+](C)c2)cc(C(F)(F)F)c1.Cc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(CN2CCNCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(Nc2ccn[nH]2)cc(C(F)(F)F)c1.Cc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.Cc1ccc(CN2CCC(N(C)C)C2)cc1.Cc1ccc(CN2CCC(O)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(CN2CCNCC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.Cc1ccc(CNCCN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(Cn2cnc(C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N3.C15H21F3N2.2C14H19F3N2.C14H18F3NO.C14H22N2.C13H17F3N2.C13H13F3N2.2C13H17F3N2.C13H16F3NO.C13H20N2.C12H12F3N2.C11H10F3N3/c1-13-3-4-14(15(11-13)16(17,18)19)12-20-5-6-22-9-7-21(2)8-10-22;1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3;1-11-7-12(9-13(8-11)14(15,16)17)10-19-5-3-18(2)4-6-19;1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-10-2-3-11(13(8-10)14(15,16)17)9-18-6-4-12(19)5-7-18;1-12-4-6-13(7-5-12)10-16-9-8-14(11-16)15(2)3;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-9-3-4-11(12(5-9)13(14,15)16)7-18-6-10(2)17-8-18;1-10-6-11(8-12(7-10)13(14,15)16)9-18-4-2-17-3-5-18;1-10-2-3-11(12(8-10)13(14,15)16)9-18-6-4-17-5-7-18;1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-9-5-10(12(13,14)15)7-11(6-9)17-4-3-16(2)8-17;1-7-4-8(11(12,13)14)6-9(5-7)16-10-2-3-15-17-10/h3-4,11,20H,5-10,12H2,1-2H3;4-5,8,13H,6-7,9-10H2,1-3H3;7-9H,3-6,10H2,1-2H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,12,19H,4-7,9H2,1H3;4-7,14H,8-11H2,1-3H3;7-9H,3-6H2,1-2H3;3-6,8H,7H2,1-2H3;6-8,17H,2-5,9H2,1H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;3-6H,7-11H2,1-2H3;3-8H,1-2H3;2-6H,1H3,(H2,15,16,17)/q;;;;;;;;;;;;+1;
InChIKeyMYTFLZQOOMIYLA-UHFFFAOYSA-N
XLogP37.99
TPSA191.21 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003613.15
LogP ≤ 537.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine with MolForge

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Related Compounds

5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 157188520
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157305917
[2-[(1S)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]ethyl]phenyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157434628
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
1-N-cyclobutyl-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-cyclopropyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N-(2-methoxyethyl)-3-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine
CID 157446494
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 157611675
(1S,8R)-1-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;(1R)-1-[3-[6-[(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrazin-2-yl]-1H-1,2,4-triazol-5-yl]-2,2-difluoropropan-1-ol;2-[1-[4-[(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrimidin-2-yl]azetidin-3-yl]propan-2-ol;1-[4-[(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine;(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(5-propyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 157621585
4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 157665647
[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(2-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157831885
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)propyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157997137
N-[4-[(dimethylamino)methyl]phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[3-(1-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-morpholin-4-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;1-[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]imidazolidin-2-one;3-methyl-N-(4-pyrimidin-2-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 158017945
[6-[6-[[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-(4-fluorophenyl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158050810

Frequently Asked Questions

What is the IUPAC name of 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (CID 158476129) is 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine is Cc1cc(-n2cc[n+](C)c2)cc(C(F)(F)F)c1.Cc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(CN2CCNCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(Nc2ccn[nH]2)cc(C(F)(F)F)c1.Cc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.Cc1ccc(CN2CCC(N(C)C)C2)cc1.Cc1ccc(CN2CCC(O)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(CN2CCNCC2)c(C(F)(F)F)c1.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.Cc1ccc(CNCCN2CCN(C)CC2)c(C(F)(F)F)c1.Cc1ccc(Cn2cnc(C)c2)c(C(F)(F)F)c1.
What is the InChIKey of 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is MYTFLZQOOMIYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3.C15H21F3N2.2C14H19F3N2.C14H18F3NO.C14H22N2.C13H17F3N2.C13H13F3N2.2C13H17F3N2.C13H16F3NO.C13H20N2.C12H12F3N2.C11H10F3N3/c1-13-3-4-14(15(11-13)16(17,18)19)12-20-5-6-22-9-7-21(2)8-10-22;1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3;1-11-7-12(9-13(8-11)14(15,16)17)10-19-5-3-18(2)4-6-19;1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-10-2-3-11(13(8-10)14(15,16)17)9-18-6-4-12(19)5-7-18;1-12-4-6-13(7-5-12)10-16-9-8-14(11-16)15(2)3;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-9-3-4-11(12(5-9)13(14,15)16)7-18-6-10(2)17-8-18;1-10-6-11(8-12(7-10)13(14,15)16)9-18-4-2-17-3-5-18;1-10-2-3-11(12(8-10)13(14,15)16)9-18-6-4-17-5-7-18;1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-9-5-10(12(13,14)15)7-11(6-9)17-4-3-16(2)8-17;1-7-4-8(11(12,13)14)6-9(5-7)16-10-2-3-15-17-10/h3-4,11,20H,5-10,12H2,1-2H3;4-5,8,13H,6-7,9-10H2,1-3H3;7-9H,3-6,10H2,1-2H3;3-4,9H,5-8,10H2,1-2H3;2-3,8,12,19H,4-7,9H2,1H3;4-7,14H,8-11H2,1-3H3;7-9H,3-6H2,1-2H3;3-6,8H,7H2,1-2H3;6-8,17H,2-5,9H2,1H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;3-6H,7-11H2,1-2H3;3-8H,1-2H3;2-6H,1H3,(H2,15,16,17)/q;;;;;;;;;;;;+1;.
What are the key properties of 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 3613.15 g/mol, XLogP of 37.99, 31 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 158476129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).