1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C112H113Cl3F16N14O9 — CID 167640845

IUPAC1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1nccn1C.Cn1cncc1C(=O)N(CC(=O)COc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.[2H]C(C)(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24ClF3N2O2.C24H28F3N3O2.C22H19ClF3N3O3.C21H21ClF3N3O.C21H21F4N3O/c1-17(18-6-4-12-29-13-18)30(14-19-5-2-3-7-23(19)25)15-21(31)16-32-22-10-8-20(9-11-22)24(26,27)28;1-17-6-4-5-7-19(17)14-30(18(2)23-28-12-13-29(23)3)15-21(31)16-32-22-10-8-20(9-11-22)24(25,26)27;1-28-14-27-10-20(28)21(31)29(11-15-4-2-3-5-19(15)23)12-17(30)13-32-18-8-6-16(7-9-18)22(24,25)26;2*1-27-15-26-12-18(27)14-28(13-16-4-2-3-5-20(16)22)10-11-29-19-8-6-17(7-9-19)21(23,24)25/h2-13,17,21,31H,14-16H2,1H3;4-13,18,21,31H,14-16H2,1-3H3;2-10,14H,11-13H2,1H3;2*2-9,12,15H,10-11,13-14H2,1H3/i17D;;;;
InChIKeyPDGRTKNORJAYSX-QTANGXBASA-N
MW2210.56 g/mol
LogP24.72
Rot. Bonds42

About 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167640845) has the molecular formula C112H113Cl3F16N14O9 and a molecular weight of 2210.56 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167640845
Molecular FormulaC112H113Cl3F16N14O9
Molecular Weight2210.56 g/mol
Exact Mass2207.77
IUPAC Name1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1nccn1C.Cn1cncc1C(=O)N(CC(=O)COc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.[2H]C(C)(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24ClF3N2O2.C24H28F3N3O2.C22H19ClF3N3O3.C21H21ClF3N3O.C21H21F4N3O/c1-17(18-6-4-12-29-13-18)30(14-19-5-2-3-7-23(19)25)15-21(31)16-32-22-10-8-20(9-11-22)24(26,27)28;1-17-6-4-5-7-19(17)14-30(18(2)23-28-12-13-29(23)3)15-21(31)16-32-22-10-8-20(9-11-22)24(25,26)27;1-28-14-27-10-20(28)21(31)29(11-15-4-2-3-5-19(15)23)12-17(30)13-32-18-8-6-16(7-9-18)22(24,25)26;2*1-27-15-26-12-18(27)14-28(13-16-4-2-3-5-20(16)22)10-11-29-19-8-6-17(7-9-19)21(23,24)25/h2-13,17,21,31H,14-16H2,1H3;4-13,18,21,31H,14-16H2,1-3H3;2-10,14H,11-13H2,1H3;2*2-9,12,15H,10-11,13-14H2,1H3/i17D;;;;
InChIKeyPDGRTKNORJAYSX-QTANGXBASA-N
XLogP24.72
TPSA221.12 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002210.56
LogP ≤ 524.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

7-[(5-Chloro-2-pyridinyl)methyl]-8-[4-(1,1-difluoroethyl)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione;8-[4-(1,1-difluoroethyl)phenoxy]-3-ethyl-1-(3-hydroxypropyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione;3-ethyl-8-(3-fluoro-4-methylphenoxy)-1-(3-hydroxypropyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione;8-(2-fluorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(5-methyl-2-pyridinyl)methyl]purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-8-(2-methylphenyl)-7-[(5-methyl-2-pyridinyl)methyl]purine-2,6-dione
CID 159598438
N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
CID 167536032
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
CID 167550487
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine
CID 167575615
1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167581655
N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
CID 167589998
N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
CID 167600279
N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167604785
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167614664
1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167618506
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 167629878
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
CID 167641929

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167640845) is 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1nccn1C.Cn1cncc1C(=O)N(CC(=O)COc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1cncc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.[2H]C(C)(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is PDGRTKNORJAYSX-QTANGXBASA-N. The full InChI is InChI=1S/C24H24ClF3N2O2.C24H28F3N3O2.C22H19ClF3N3O3.C21H21ClF3N3O.C21H21F4N3O/c1-17(18-6-4-12-29-13-18)30(14-19-5-2-3-7-23(19)25)15-21(31)16-32-22-10-8-20(9-11-22)24(26,27)28;1-17-6-4-5-7-19(17)14-30(18(2)23-28-12-13-29(23)3)15-21(31)16-32-22-10-8-20(9-11-22)24(25,26)27;1-28-14-27-10-20(28)21(31)29(11-15-4-2-3-5-19(15)23)12-17(30)13-32-18-8-6-16(7-9-18)22(24,25)26;2*1-27-15-26-12-18(27)14-28(13-16-4-2-3-5-20(16)22)10-11-29-19-8-6-17(7-9-19)21(23,24)25/h2-13,17,21,31H,14-16H2,1H3;4-13,18,21,31H,14-16H2,1-3H3;2-10,14H,11-13H2,1H3;2*2-9,12,15H,10-11,13-14H2,1H3/i17D;;;;.
What are the key properties of 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2210.56 g/mol, XLogP of 24.72, 42 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-(1-deuterio-1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-fluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[1-(1-methylimidazol-2-yl)ethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167640845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).