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;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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
C165H210F33N19O2 — CID 157399838
Data last refreshed: (MolForge compound catalog, from PubChem)
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;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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
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;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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 (PubChem CID 157399838) has the molecular formula C165H210F33N19O2 and a molecular weight of 3118.56 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;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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.
Molecular Properties
| Compound Name | 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;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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 |
|---|---|
| PubChem CID | 157399838 |
| Molecular Formula | C165H210F33N19O2 |
| Molecular Weight | 3118.56 g/mol |
| Exact Mass | 3116.64 |
| IUPAC Name | 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;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]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 |
| SMILES | Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N(C)C)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(CN2CCN(C)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.Cc1cccc(C(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H21F3N2.3C14H19F3N2.C14H22N2.C13H17F3N2.C13H16F3NO.C13H20N2.C12H11F3N2.C10H12F3N.C10H14.C8H7F3O.C8H7F3.C7H6F3N/c1-11-4-5-12(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;2*1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19;1-12-4-6-13(7-5-12)10-16-9-8-14(11-16)15(2)3;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;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-7-4-8(10(11,12)13)6-9(5-7)14(2)3;1-8(2)10-6-4-5-9(3)7-10;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-5-2-6(4-11-3-5)7(8,9)10/h4-5,8,13H,6-7,9-10H2,1-3H3;7-9H,3-6,10H2,1-2H3;2*3-4,9H,5-8,10H2,1-2H3;4-7,14H,8-11H2,1-3H3;2-3,8,17H,4-7,9H2,1H3;2-3,8H,4-7,9H2,1H3;3-6H,7-11H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-8H,1-3H3;2-5H,1H3;2-5H,1H3;2-4H,1H3 |
| InChIKey | BNABGFFOEIRVJY-UHFFFAOYSA-N |
| XLogP | 38.59 |
| TPSA | 109.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 219 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3118.56 |
| LogP ≤ 5 | 38.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 21 |
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Sources
- PubChem CID 157399838 — identifiers, structure, computed properties (public domain)
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