1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol

C28H24F3NO2 — CID 10434530

IUPAC1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1cccc(-c2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C28H24F3NO2/c29-28(30,31)27(33)20-32(19-21-9-7-12-23(17-21)22-10-3-1-4-11-22)24-13-8-16-26(18-24)34-25-14-5-2-6-15-25/h1-18,27,33H,19-20H2
InChIKeyMGMFJYCNNUVIPK-UHFFFAOYSA-N
MW463.50 g/mol
LogP7.08
Rot. Bonds8

About 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol

1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol (PubChem CID 10434530) has the molecular formula C28H24F3NO2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol
PubChem CID10434530
Molecular FormulaC28H24F3NO2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC Name1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1cccc(-c2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C28H24F3NO2/c29-28(30,31)27(33)20-32(19-21-9-7-12-23(17-21)22-10-3-1-4-11-22)24-13-8-16-26(18-24)34-25-14-5-2-6-15-25/h1-18,27,33H,19-20H2
InChIKeyMGMFJYCNNUVIPK-UHFFFAOYSA-N
XLogP7.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol (CID 10434530) is 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol is OC(CN(Cc1cccc(-c2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol?
The InChIKey is MGMFJYCNNUVIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3NO2/c29-28(30,31)27(33)20-32(19-21-9-7-12-23(17-21)22-10-3-1-4-11-22)24-13-8-16-26(18-24)34-25-14-5-2-6-15-25/h1-18,27,33H,19-20H2.
What are the key properties of 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol has a molecular weight of 463.50 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-phenoxy-N-[(3-phenylphenyl)methyl]anilino]propan-2-ol is sourced from PubChem (CID 10434530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).