4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline

C24H25F3N2O — CID 2825080

IUPAC4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(OC(F)(F)F)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25F3N2O/c1-28(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)29(3)4)19-9-15-22(16-10-19)30-24(25,26)27/h5-16,23H,1-4H3
InChIKeyLKGJHTUTBWSKKB-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.90
Rot. Bonds6

About 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 2825080) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
PubChem CID2825080
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(OC(F)(F)F)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25F3N2O/c1-28(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)29(3)4)19-9-15-22(16-10-19)30-24(25,26)27/h5-16,23H,1-4H3
InChIKeyLKGJHTUTBWSKKB-UHFFFAOYSA-N
XLogP5.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline (CID 2825080) is 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccc(OC(F)(F)F)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is LKGJHTUTBWSKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-28(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)29(3)4)19-9-15-22(16-10-19)30-24(25,26)27/h5-16,23H,1-4H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 414.47 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2825080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).