4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline

C17H15FN2 — CID 142836110

IUPAC4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccc1)c1cc(C=C)cc(F)c1N
InChIInChI=1S/C17H15FN2/c1-2-12-10-14(17(20)15(18)11-12)16(19)9-8-13-6-4-3-5-7-13/h2-11,19H,1,20H2/b9-8+,19-16+
InChIKeyUVESBMFLFXWDGB-INBSMMELSA-N
MW266.32 g/mol
LogP4.13
Rot. Bonds4

About 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline

4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline (PubChem CID 142836110) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline
PubChem CID142836110
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccc1)c1cc(C=C)cc(F)c1N
InChIInChI=1S/C17H15FN2/c1-2-12-10-14(17(20)15(18)11-12)16(19)9-8-13-6-4-3-5-7-13/h2-11,19H,1,20H2/b9-8+,19-16+
InChIKeyUVESBMFLFXWDGB-INBSMMELSA-N
XLogP4.13
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline
CID 142836156
4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142077134
[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite
CID 142077055
2-fluoro-6-prop-2-enimidoylaniline
CID 176657806
2-fluoro-6-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-4-[5-(methylaminomethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 142835882
2-[(E)-3-(3,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline
CID 142836389
ethyl 4-amino-2-fluoro-5-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]benzenecarboximidate
CID 142836408
N-(cyclopentylmethyl)ethenamine;5-fluoro-2-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-4-methylaniline
CID 142835831
hydroxylamine;styrene
CID 18314782
CID 57450570
CID 57450570
(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine
CID 59027692
buta-1,3-diene;3-phenylprop-2-enoic acid;styrene
CID 158154064

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline?
The IUPAC name of 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline (CID 142836110) is 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline.
What is the SMILES notation for 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline?
The canonical SMILES for 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline is [H]/N=C(\C=C\c1ccccc1)c1cc(C=C)cc(F)c1N.
What is the InChIKey of 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline?
The InChIKey is UVESBMFLFXWDGB-INBSMMELSA-N. The full InChI is InChI=1S/C17H15FN2/c1-2-12-10-14(17(20)15(18)11-12)16(19)9-8-13-6-4-3-5-7-13/h2-11,19H,1,20H2/b9-8+,19-16+.
What are the key properties of 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline?
4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline has a molecular weight of 266.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline is sourced from PubChem (CID 142836110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).