N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C88H88ClF13N10O4S2 — CID 167562452

IUPACN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccnnc1.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
InChIInChI=1S/C25H28F3N3O.C23H24F3N3O.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;1-18-5-2-3-6-20(18)17-29(16-19-11-12-27-28-15-19)13-4-14-30-22-9-7-21(8-10-22)23(24,25)26;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;2-3,5-12,15H,4,13-14,16-17H2,1H3;2*1-8,11,14H,9-10,12-13H2
InChIKeyDVMUBRWHHXLJBB-UHFFFAOYSA-N
MW1696.30 g/mol
LogP22.47
Rot. Bonds34

About N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 167562452) has the molecular formula C88H88ClF13N10O4S2 and a molecular weight of 1696.30 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID167562452
Molecular FormulaC88H88ClF13N10O4S2
Molecular Weight1696.30 g/mol
Exact Mass1694.59
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccnnc1.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
InChIInChI=1S/C25H28F3N3O.C23H24F3N3O.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;1-18-5-2-3-6-20(18)17-29(16-19-11-12-27-28-15-19)13-4-14-30-22-9-7-21(8-10-22)23(24,25)26;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;2-3,5-12,15H,4,13-14,16-17H2,1H3;2*1-8,11,14H,9-10,12-13H2
InChIKeyDVMUBRWHHXLJBB-UHFFFAOYSA-N
XLogP22.47
TPSA127.22 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.30
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine 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;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 167562452) is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccnnc1.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.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is DVMUBRWHHXLJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O.C23H24F3N3O.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;1-18-5-2-3-6-20(18)17-29(16-19-11-12-27-28-15-19)13-4-14-30-22-9-7-21(8-10-22)23(24,25)26;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;2-3,5-12,15H,4,13-14,16-17H2,1H3;2*1-8,11,14H,9-10,12-13H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 1696.30 g/mol, XLogP of 22.47, 34 rotatable bonds, 0 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;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-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 167562452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).