bis(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

C107H103Cl3F17N13O5 — CID 167680330

IUPACbis(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
SMILESCn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.FC(F)(F)c1ccc(OCCN(Cc2cccnc2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1
InChIInChI=1S/C22H20ClF3N2O.C22H20F4N2O.2C21H21ClF3N3O.C21H21F4N3O/c2*23-21-6-2-1-5-18(21)16-28(15-17-4-3-11-27-14-17)12-13-29-20-9-7-19(8-10-20)22(24,25)26;3*1-27-11-10-26-20(27)15-28(14-16-4-2-3-5-19(16)22)12-13-29-18-8-6-17(7-9-18)21(23,24)25/h2*1-11,14H,12-13,15-16H2;3*2-11H,12-15H2,1H3
InChIKeyVLEPETHIQULVDS-UHFFFAOYSA-N
MW2080.41 g/mol
LogP26.16
Rot. Bonds40

About bis(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

bis(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 (PubChem CID 167680330) has the molecular formula C107H103Cl3F17N13O5 and a molecular weight of 2080.41 g/mol. Its IUPAC name is bis(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.

Molecular Properties

Compound Namebis(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
PubChem CID167680330
Molecular FormulaC107H103Cl3F17N13O5
Molecular Weight2080.41 g/mol
Exact Mass2077.70
IUPAC Namebis(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
SMILESCn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.FC(F)(F)c1ccc(OCCN(Cc2cccnc2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1
InChIInChI=1S/C22H20ClF3N2O.C22H20F4N2O.2C21H21ClF3N3O.C21H21F4N3O/c2*23-21-6-2-1-5-18(21)16-28(15-17-4-3-11-27-14-17)12-13-29-20-9-7-19(8-10-20)22(24,25)26;3*1-27-11-10-26-20(27)15-28(14-16-4-2-3-5-19(16)22)12-13-29-18-8-6-17(7-9-18)21(23,24)25/h2*1-11,14H,12-13,15-16H2;3*2-11H,12-15H2,1H3
InChIKeyVLEPETHIQULVDS-UHFFFAOYSA-N
XLogP26.16
TPSA141.59 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002080.41
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(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?
The IUPAC name of bis(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 (CID 167680330) is bis(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.
What is the SMILES notation for bis(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?
The canonical SMILES for bis(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 is Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.Cn1ccnc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.FC(F)(F)c1ccc(OCCN(Cc2cccnc2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1.
What is the InChIKey of bis(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?
The InChIKey is VLEPETHIQULVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O.C22H20F4N2O.2C21H21ClF3N3O.C21H21F4N3O/c2*23-21-6-2-1-5-18(21)16-28(15-17-4-3-11-27-14-17)12-13-29-20-9-7-19(8-10-20)22(24,25)26;3*1-27-11-10-26-20(27)15-28(14-16-4-2-3-5-19(16)22)12-13-29-18-8-6-17(7-9-18)21(23,24)25/h2*1-11,14H,12-13,15-16H2;3*2-11H,12-15H2,1H3.
What are the key properties of bis(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?
bis(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 has a molecular weight of 2080.41 g/mol, XLogP of 26.16, 40 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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 is sourced from PubChem (CID 167680330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).