3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline

C22H20FN — CID 166671925

IUPAC3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline
SMILESC/C=C(\c1ccccc1C)N(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H20FN/c1-3-22(21-15-8-7-10-17(21)2)24(19-12-5-4-6-13-19)20-14-9-11-18(23)16-20/h3-16H,1-2H3/b22-3+
InChIKeyWGNJKHKZCNSECS-HEQWTUPCSA-N
MW317.41 g/mol
LogP6.33
Rot. Bonds4

About 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline

3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline (PubChem CID 166671925) has the molecular formula C22H20FN and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline.

Molecular Properties

Compound Name3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline
PubChem CID166671925
Molecular FormulaC22H20FN
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline
SMILESC/C=C(\c1ccccc1C)N(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H20FN/c1-3-22(21-15-8-7-10-17(21)2)24(19-12-5-4-6-13-19)20-14-9-11-18(23)16-20/h3-16H,1-2H3/b22-3+
InChIKeyWGNJKHKZCNSECS-HEQWTUPCSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline?
The IUPAC name of 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline (CID 166671925) is 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline.
What is the SMILES notation for 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline?
The canonical SMILES for 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline is C/C=C(\c1ccccc1C)N(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline?
The InChIKey is WGNJKHKZCNSECS-HEQWTUPCSA-N. The full InChI is InChI=1S/C22H20FN/c1-3-22(21-15-8-7-10-17(21)2)24(19-12-5-4-6-13-19)20-14-9-11-18(23)16-20/h3-16H,1-2H3/b22-3+.
What are the key properties of 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline?
3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline has a molecular weight of 317.41 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-1-(2-methylphenyl)prop-1-enyl]-N-phenylaniline is sourced from PubChem (CID 166671925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).