4-ethyl-N-(4-fluorophenyl)-N-phenylaniline

C20H18FN — CID 154721984

IUPAC4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN/c1-2-16-8-12-19(13-9-16)22(18-6-4-3-5-7-18)20-14-10-17(21)11-15-20/h3-15H,2H2,1H3
InChIKeyDROCJVIVONDXFD-UHFFFAOYSA-N
MW291.37 g/mol
LogP5.86
Rot. Bonds4

About 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline

4-ethyl-N-(4-fluorophenyl)-N-phenylaniline (PubChem CID 154721984) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
PubChem CID154721984
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN/c1-2-16-8-12-19(13-9-16)22(18-6-4-3-5-7-18)20-14-10-17(21)11-15-20/h3-15H,2H2,1H3
InChIKeyDROCJVIVONDXFD-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.37
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline?
The IUPAC name of 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline (CID 154721984) is 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline.
What is the SMILES notation for 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline?
The canonical SMILES for 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline is CCc1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline?
The InChIKey is DROCJVIVONDXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN/c1-2-16-8-12-19(13-9-16)22(18-6-4-3-5-7-18)20-14-10-17(21)11-15-20/h3-15H,2H2,1H3.
What are the key properties of 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline?
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline has a molecular weight of 291.37 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-fluorophenyl)-N-phenylaniline is sourced from PubChem (CID 154721984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).