N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine

C90H91ClF13N9O5S2 — CID 167619027

IUPACN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
SMILESCc1ccccc1CN(Cc1cccnn1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.[2H]C(C)(c1cccnc1)N(Cc1ccccc1C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O.C25H27F3N2O2.C20H18ClF3N2OS.C20H18F4N2OS/c1-19-7-4-5-8-20(19)15-31(16-22-9-6-14-29-30-22)17-24(2,3)18-32-23-12-10-21(11-13-23)25(26,27)28;1-18-6-3-4-7-21(18)15-30(19(2)20-8-5-13-29-14-20)16-23(31)17-32-24-11-9-22(10-12-24)25(26,27)28;2*21-19-4-2-1-3-15(19)12-26(13-18-11-25-14-28-18)9-10-27-17-7-5-16(6-8-17)20(22,23)24/h4-14H,15-18H2,1-3H3;3-14,19,23,31H,15-17H2,1-2H3;2*1-8,11,14H,9-10,12-13H2/i;19D;;
InChIKeyMEBPBAZTMJAEPJ-CYQAGZALSA-N
MW1726.34 g/mol
LogP22.60
Rot. Bonds34

About N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine

N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 167619027) has the molecular formula C90H91ClF13N9O5S2 and a molecular weight of 1726.34 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
PubChem CID167619027
Molecular FormulaC90H91ClF13N9O5S2
Molecular Weight1726.34 g/mol
Exact Mass1724.61
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
SMILESCc1ccccc1CN(Cc1cccnn1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.[2H]C(C)(c1cccnc1)N(Cc1ccccc1C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O.C25H27F3N2O2.C20H18ClF3N2OS.C20H18F4N2OS/c1-19-7-4-5-8-20(19)15-31(16-22-9-6-14-29-30-22)17-24(2,3)18-32-23-12-10-21(11-13-23)25(26,27)28;1-18-6-3-4-7-21(18)15-30(19(2)20-8-5-13-29-14-20)16-23(31)17-32-24-11-9-22(10-12-24)25(26,27)28;2*21-19-4-2-1-3-15(19)12-26(13-18-11-25-14-28-18)9-10-27-17-7-5-16(6-8-17)20(22,23)24/h4-14H,15-18H2,1-3H3;3-14,19,23,31H,15-17H2,1-2H3;2*1-8,11,14H,9-10,12-13H2/i;19D;;
InChIKeyMEBPBAZTMJAEPJ-CYQAGZALSA-N
XLogP22.60
TPSA134.56 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.34
LogP ≤ 522.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine (CID 167619027) is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine is Cc1ccccc1CN(Cc1cccnn1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.[2H]C(C)(c1cccnc1)N(Cc1ccccc1C)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is MEBPBAZTMJAEPJ-CYQAGZALSA-N. The full InChI is InChI=1S/C25H28F3N3O.C25H27F3N2O2.C20H18ClF3N2OS.C20H18F4N2OS/c1-19-7-4-5-8-20(19)15-31(16-22-9-6-14-29-30-22)17-24(2,3)18-32-23-12-10-21(11-13-23)25(26,27)28;1-18-6-3-4-7-21(18)15-30(19(2)20-8-5-13-29-14-20)16-23(31)17-32-24-11-9-22(10-12-24)25(26,27)28;2*21-19-4-2-1-3-15(19)12-26(13-18-11-25-14-28-18)9-10-27-17-7-5-16(6-8-17)20(22,23)24/h4-14H,15-18H2,1-3H3;3-14,19,23,31H,15-17H2,1-2H3;2*1-8,11,14H,9-10,12-13H2/i;19D;;.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 1726.34 g/mol, XLogP of 22.60, 34 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(1-deuterio-1-pyridin-3-ylethyl)-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 167619027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).