2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C95H100F13N11O4 — CID 167674896

IUPAC2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1F.CC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cccnn1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccnnc1
InChIInChI=1S/C25H26F4N2O.C24H26F3N3O.2C23H24F3N3O/c1-24(2,18-32-22-11-9-21(10-12-22)25(27,28)29)17-31(15-19-6-5-13-30-14-19)16-20-7-3-4-8-23(20)26;1-23(2,18-31-22-9-7-21(8-10-22)24(25,26)27)17-30(15-19-5-3-11-28-13-19)16-20-6-4-12-29-14-20;1-18-6-2-3-7-19(18)16-29(17-21-8-4-13-27-28-21)14-5-15-30-22-11-9-20(10-12-22)23(24,25)26;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/h3-14H,15-18H2,1-2H3;3-14H,15-18H2,1-2H3;2-4,6-13H,5,14-17H2,1H3;2-3,5-12,15H,4,13-14,16-17H2,1H3
InChIKeyUQXZXMKWWAHTQC-UHFFFAOYSA-N
MW1706.89 g/mol
LogP22.50
Rot. Bonds36

About 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 167674896) has the molecular formula C95H100F13N11O4 and a molecular weight of 1706.89 g/mol. Its IUPAC name is 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID167674896
Molecular FormulaC95H100F13N11O4
Molecular Weight1706.89 g/mol
Exact Mass1705.78
IUPAC Name2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1F.CC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cccnn1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccnnc1
InChIInChI=1S/C25H26F4N2O.C24H26F3N3O.2C23H24F3N3O/c1-24(2,18-32-22-11-9-21(10-12-22)25(27,28)29)17-31(15-19-6-5-13-30-14-19)16-20-7-3-4-8-23(20)26;1-23(2,18-31-22-9-7-21(8-10-22)24(25,26)27)17-30(15-19-5-3-11-28-13-19)16-20-6-4-12-29-14-20;1-18-6-2-3-7-19(18)16-29(17-21-8-4-13-27-28-21)14-5-15-30-22-11-9-20(10-12-22)23(24,25)26;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/h3-14H,15-18H2,1-2H3;3-14H,15-18H2,1-2H3;2-4,6-13H,5,14-17H2,1H3;2-3,5-12,15H,4,13-14,16-17H2,1H3
InChIKeyUQXZXMKWWAHTQC-UHFFFAOYSA-N
XLogP22.50
TPSA140.11 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.89
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine with MolForge

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Related Compounds

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
N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 166010595
N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1-[(2-methylphenyl)methyl-(1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167704525
2-[3-[naphthalen-1-ylmethyl-[[4-[[pyridin-2-ylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]methyl]amino]propyl]guanidine
CID 71552886
3-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3648382
3-[3-(4-benzylphenoxy)propyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 70128798
2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
CID 154859092
1-[(3-methylimidazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010608
N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110424688
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
N-[(2-methylphenyl)methyl]-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 52725225
1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
CID 66960537

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 167674896) is 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is CC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1F.CC(C)(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cccnn1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccnnc1.
What is the InChIKey of 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is UQXZXMKWWAHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N2O.C24H26F3N3O.2C23H24F3N3O/c1-24(2,18-32-22-11-9-21(10-12-22)25(27,28)29)17-31(15-19-6-5-13-30-14-19)16-20-7-3-4-8-23(20)26;1-23(2,18-31-22-9-7-21(8-10-22)24(25,26)27)17-30(15-19-5-3-11-28-13-19)16-20-6-4-12-29-14-20;1-18-6-2-3-7-19(18)16-29(17-21-8-4-13-27-28-21)14-5-15-30-22-11-9-20(10-12-22)23(24,25)26;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/h3-14H,15-18H2,1-2H3;3-14H,15-18H2,1-2H3;2-4,6-13H,5,14-17H2,1H3;2-3,5-12,15H,4,13-14,16-17H2,1H3.
What are the key properties of 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 1706.89 g/mol, XLogP of 22.50, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 167674896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).