N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

C87H82ClF16N9O4S2 — CID 167598087

IUPACN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCn1ccnc1C1Cc2ccccc2CN1CCCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN(Cc2cccnc2)Cc2ccccc2C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1
InChIInChI=1S/C24H22F6N2O.C23H24F3N3O.C20H18ClF3N2OS.C20H18F4N2OS/c25-23(26,27)20-8-10-21(11-9-20)33-14-4-13-32(16-18-5-3-12-31-15-18)17-19-6-1-2-7-22(19)24(28,29)30;1-28-13-11-27-22(28)21-15-17-5-2-3-6-18(17)16-29(21)12-4-14-30-20-9-7-19(8-10-20)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/h1-3,5-12,15H,4,13-14,16-17H2;2-3,5-11,13,21H,4,12,14-16H2,1H3;2*1-8,11,14H,9-10,12-13H2
InChIKeyJIVRFNAIUUJOFK-UHFFFAOYSA-N
MW1721.23 g/mol
LogP22.88
Rot. Bonds31

About N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 167598087) has the molecular formula C87H82ClF16N9O4S2 and a molecular weight of 1721.23 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID167598087
Molecular FormulaC87H82ClF16N9O4S2
Molecular Weight1721.23 g/mol
Exact Mass1719.54
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCn1ccnc1C1Cc2ccccc2CN1CCCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN(Cc2cccnc2)Cc2ccccc2C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCN(Cc2cncs2)Cc2ccccc2Cl)cc1.Fc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cncs1
InChIInChI=1S/C24H22F6N2O.C23H24F3N3O.C20H18ClF3N2OS.C20H18F4N2OS/c25-23(26,27)20-8-10-21(11-9-20)33-14-4-13-32(16-18-5-3-12-31-15-18)17-19-6-1-2-7-22(19)24(28,29)30;1-28-13-11-27-22(28)21-15-17-5-2-3-6-18(17)16-29(21)12-4-14-30-20-9-7-19(8-10-20)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/h1-3,5-12,15H,4,13-14,16-17H2;2-3,5-11,13,21H,4,12,14-16H2,1H3;2*1-8,11,14H,9-10,12-13H2
InChIKeyJIVRFNAIUUJOFK-UHFFFAOYSA-N
XLogP22.88
TPSA106.37 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.23
LogP ≤ 522.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]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;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 167598087) is N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is Cn1ccnc1C1Cc2ccccc2CN1CCCOc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN(Cc2cccnc2)Cc2ccccc2C(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;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is JIVRFNAIUUJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N2O.C23H24F3N3O.C20H18ClF3N2OS.C20H18F4N2OS/c25-23(26,27)20-8-10-21(11-9-20)33-14-4-13-32(16-18-5-3-12-31-15-18)17-19-6-1-2-7-22(19)24(28,29)30;1-28-13-11-27-22(28)21-15-17-5-2-3-6-18(17)16-29(21)12-4-14-30-20-9-7-19(8-10-20)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/h1-3,5-12,15H,4,13-14,16-17H2;2-3,5-11,13,21H,4,12,14-16H2,1H3;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;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 1721.23 g/mol, XLogP of 22.88, 31 rotatable bonds, 0 hydrogen bond donors, and 15 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;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;3-(1-methylimidazol-2-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 167598087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).