2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C27H20F3NO — CID 173223193

IUPAC2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H20F3NO/c28-27(29,30)20-14-12-19(13-15-20)24(31)16-17-8-10-18(11-9-17)21-5-3-6-23-22-4-1-2-7-25(22)32-26(21)23/h1-15,24H,16,31H2
InChIKeyYARAQVRQZHKDBL-UHFFFAOYSA-N
MW431.46 g/mol
LogP7.51
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 173223193) has the molecular formula C27H20F3NO and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID173223193
Molecular FormulaC27H20F3NO
Molecular Weight431.46 g/mol
Exact Mass431.15
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H20F3NO/c28-27(29,30)20-14-12-19(13-15-20)24(31)16-17-8-10-18(11-9-17)21-5-3-6-23-22-4-1-2-7-25(22)32-26(21)23/h1-15,24H,16,31H2
InChIKeyYARAQVRQZHKDBL-UHFFFAOYSA-N
XLogP7.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 173223193) is 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YARAQVRQZHKDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO/c28-27(29,30)20-14-12-19(13-15-20)24(31)16-17-8-10-18(11-9-17)21-5-3-6-23-22-4-1-2-7-25(22)32-26(21)23/h1-15,24H,16,31H2.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 431.46 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 173223193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).