1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol

C28H25F3N2O2 — CID 23378777

IUPAC1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol
SMILESOC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(-c2ccccn2)c1)C(F)(F)F
InChIInChI=1S/C28H25F3N2O2/c29-28(30,31)27(34)20-33(18-21-8-6-10-23(16-21)26-14-4-5-15-32-26)19-22-9-7-13-25(17-22)35-24-11-2-1-3-12-24/h1-17,27,34H,18-20H2
InChIKeyBWSHVSRBBIBBMM-UHFFFAOYSA-N
MW478.51 g/mol
LogP6.47
Rot. Bonds9

About 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol

1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol (PubChem CID 23378777) has the molecular formula C28H25F3N2O2 and a molecular weight of 478.51 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol
PubChem CID23378777
Molecular FormulaC28H25F3N2O2
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol
SMILESOC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(-c2ccccn2)c1)C(F)(F)F
InChIInChI=1S/C28H25F3N2O2/c29-28(30,31)27(34)20-33(18-21-8-6-10-23(16-21)26-14-4-5-15-32-26)19-22-9-7-13-25(17-22)35-24-11-2-1-3-12-24/h1-17,27,34H,18-20H2
InChIKeyBWSHVSRBBIBBMM-UHFFFAOYSA-N
XLogP6.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-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 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol (CID 23378777) is 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol is OC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(-c2ccccn2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol?
The InChIKey is BWSHVSRBBIBBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O2/c29-28(30,31)27(34)20-33(18-21-8-6-10-23(16-21)26-14-4-5-15-32-26)19-22-9-7-13-25(17-22)35-24-11-2-1-3-12-24/h1-17,27,34H,18-20H2.
What are the key properties of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol has a molecular weight of 478.51 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-pyridin-2-ylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 23378777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).