1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C23H19F6N — CID 22391575

IUPAC1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H19F6N/c1-15(17-5-3-2-4-6-17)30-14-16-7-12-21(23(27,28)29)20(13-16)18-8-10-19(11-9-18)22(24,25)26/h2-13,15,30H,14H2,1H3
InChIKeyVIFIKZGAVCYVFC-UHFFFAOYSA-N
MW423.40 g/mol
LogP7.24
Rot. Bonds5

About 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 22391575) has the molecular formula C23H19F6N and a molecular weight of 423.40 g/mol. Its IUPAC name is 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID22391575
Molecular FormulaC23H19F6N
Molecular Weight423.40 g/mol
Exact Mass423.14
IUPAC Name1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H19F6N/c1-15(17-5-3-2-4-6-17)30-14-16-7-12-21(23(27,28)29)20(13-16)18-8-10-19(11-9-18)22(24,25)26/h2-13,15,30H,14H2,1H3
InChIKeyVIFIKZGAVCYVFC-UHFFFAOYSA-N
XLogP7.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.40
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 22391575) is 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is CC(NCc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is VIFIKZGAVCYVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N/c1-15(17-5-3-2-4-6-17)30-14-16-7-12-21(23(27,28)29)20(13-16)18-8-10-19(11-9-18)22(24,25)26/h2-13,15,30H,14H2,1H3.
What are the key properties of 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 423.40 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 22391575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).