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

C117H116Cl3F17N12O9 — CID 167581655

IUPAC1-[(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
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1nccn1C.Cc1ccccc1CN(Cc1cccnc1)CC(F)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CC(=O)COc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl.[2H]C(C)(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24ClF3N2O2.C24H24F4N2O.C24H28F3N3O2.C23H21ClF4N2O.C22H19ClF3N3O3/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;1-18-5-2-3-7-20(18)15-30(14-19-6-4-12-29-13-19)16-22(25)17-31-23-10-8-21(9-11-23)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;24-22-6-2-1-5-18(22)14-30(13-17-4-3-11-29-12-17)15-20(25)16-31-21-9-7-19(8-10-21)23(26,27)28;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/h2-13,17,21,31H,14-16H2,1H3;2-13,22H,14-17H2,1H3;4-13,18,21,31H,14-16H2,1-3H3;1-12,20H,13-16H2;2-10,14H,11-13H2,1H3/i17D;;;;
InChIKeyHGGBMMFUNGTSSJ-QTANGXBASA-N
MW2264.62 g/mol
LogP26.89
Rot. Bonds44

About 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

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 (PubChem CID 167581655) has the molecular formula C117H116Cl3F17N12O9 and a molecular weight of 2264.62 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]-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.

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]-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
PubChem CID167581655
Molecular FormulaC117H116Cl3F17N12O9
Molecular Weight2264.62 g/mol
Exact Mass2261.78
IUPAC Name1-[(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
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1nccn1C.Cc1ccccc1CN(Cc1cccnc1)CC(F)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CC(=O)COc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl.[2H]C(C)(c1cccnc1)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24ClF3N2O2.C24H24F4N2O.C24H28F3N3O2.C23H21ClF4N2O.C22H19ClF3N3O3/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;1-18-5-2-3-7-20(18)15-30(14-19-6-4-12-29-13-19)16-22(25)17-31-23-10-8-21(9-11-23)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;24-22-6-2-1-5-18(22)14-30(13-17-4-3-11-29-12-17)15-20(25)16-31-21-9-7-19(8-10-21)23(26,27)28;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/h2-13,17,21,31H,14-16H2,1H3;2-13,22H,14-17H2,1H3;4-13,18,21,31H,14-16H2,1-3H3;1-12,20H,13-16H2;2-10,14H,11-13H2,1H3/i17D;;;;
InChIKeyHGGBMMFUNGTSSJ-QTANGXBASA-N
XLogP26.89
TPSA211.26 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002264.62
LogP ≤ 526.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 166010536
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
2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-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;1-[6-methyl-3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167565196
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
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-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[(3-methylimidazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine
CID 167591013
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-[(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 167605611
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
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

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]-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?
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]-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) is 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.
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]-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?
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]-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 is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(C)c1nccn1C.Cc1ccccc1CN(Cc1cccnc1)CC(F)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CC(=O)COc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl.[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]-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?
The InChIKey is HGGBMMFUNGTSSJ-QTANGXBASA-N. The full InChI is InChI=1S/C24H24ClF3N2O2.C24H24F4N2O.C24H28F3N3O2.C23H21ClF4N2O.C22H19ClF3N3O3/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;1-18-5-2-3-7-20(18)15-30(14-19-6-4-12-29-13-19)16-22(25)17-31-23-10-8-21(9-11-23)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;24-22-6-2-1-5-18(22)14-30(13-17-4-3-11-29-12-17)15-20(25)16-31-21-9-7-19(8-10-21)23(26,27)28;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/h2-13,17,21,31H,14-16H2,1H3;2-13,22H,14-17H2,1H3;4-13,18,21,31H,14-16H2,1-3H3;1-12,20H,13-16H2;2-10,14H,11-13H2,1H3/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]-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?
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 has a molecular weight of 2264.62 g/mol, XLogP of 26.89, 44 rotatable bonds, 2 hydrogen bond donors, and 20 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]-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 is sourced from PubChem (CID 167581655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).