1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol

C25H25ClF3NO — CID 132539911

IUPAC1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol
SMILESCc1cc(C)c(NCC(c2ccc(C(F)(F)F)cc2)C(O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H25ClF3NO/c1-15-12-16(2)23(17(3)13-15)30-14-22(24(31)19-6-10-21(26)11-7-19)18-4-8-20(9-5-18)25(27,28)29/h4-13,22,24,30-31H,14H2,1-3H3
InChIKeyPLBJUTUJGSZABI-UHFFFAOYSA-N
MW447.93 g/mol
LogP7.21
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol

1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol (PubChem CID 132539911) has the molecular formula C25H25ClF3NO and a molecular weight of 447.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol
PubChem CID132539911
Molecular FormulaC25H25ClF3NO
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Name1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol
SMILESCc1cc(C)c(NCC(c2ccc(C(F)(F)F)cc2)C(O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H25ClF3NO/c1-15-12-16(2)23(17(3)13-15)30-14-22(24(31)19-6-10-21(26)11-7-19)18-4-8-20(9-5-18)25(27,28)29/h4-13,22,24,30-31H,14H2,1-3H3
InChIKeyPLBJUTUJGSZABI-UHFFFAOYSA-N
XLogP7.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol 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-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol (CID 132539911) is 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol is Cc1cc(C)c(NCC(c2ccc(C(F)(F)F)cc2)C(O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol?
The InChIKey is PLBJUTUJGSZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3NO/c1-15-12-16(2)23(17(3)13-15)30-14-22(24(31)19-6-10-21(26)11-7-19)18-4-8-20(9-5-18)25(27,28)29/h4-13,22,24,30-31H,14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol?
1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol has a molecular weight of 447.93 g/mol, XLogP of 7.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol is sourced from PubChem (CID 132539911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).