5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline

C18H19FN2 — CID 144586602

IUPAC5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline
SMILES[H]/N=C/c1cc(C(=C)C)c(CC)cc1Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2/c1-4-13-10-18(14(11-20)9-17(13)12(2)3)21-16-7-5-15(19)6-8-16/h5-11,20-21H,2,4H2,1,3H3/b20-11+
InChIKeyUAPMEMPLGCNSRY-RGVLZGJSSA-N
MW282.36 g/mol
LogP5.16
Rot. Bonds5

About 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline

5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline (PubChem CID 144586602) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline
PubChem CID144586602
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline
SMILES[H]/N=C/c1cc(C(=C)C)c(CC)cc1Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2/c1-4-13-10-18(14(11-20)9-17(13)12(2)3)21-16-7-5-15(19)6-8-16/h5-11,20-21H,2,4H2,1,3H3/b20-11+
InChIKeyUAPMEMPLGCNSRY-RGVLZGJSSA-N
XLogP5.16
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 134405282
S-[4-(4-fluoroanilino)-3-methanimidoylphenyl] benzenecarbothioate
CID 89268827
4-(3-amino-2,2-dimethyl-1-phenylpropyl)-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 143670957
1-[3-[4-(4-fluoroanilino)-5-methanimidoyl-2-methylphenyl]-4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 168813369
N-[3-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-2,2,5-trimethylhexyl]-3,3-dimethylbutanamide
CID 59251112
N-[(3S)-3-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 143670961
N-[(3R)-3-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-2,2-dimethyl-3-phenylpropyl]-2-thiophen-2-ylacetamide
CID 59251134
1-[(2R)-2-benzyl-4-[4-(4-fluoroanilino)-3-methanimidoylphenyl]piperazin-1-yl]ethanone
CID 166916302
4-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-3,3-dimethyl-1,4-diphenylbutan-2-ol
CID 59251174
1-benzyl-6-[4-(4-fluoroanilino)-5-methanimidoyl-2-methylphenyl]piperazin-2-one
CID 168961533
4-[1-(tert-butylsulfamoylamino)-2,2,5-trimethylhexan-3-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 59251078
dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline?
The IUPAC name of 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline (CID 144586602) is 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline.
What is the SMILES notation for 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline?
The canonical SMILES for 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline is [H]/N=C/c1cc(C(=C)C)c(CC)cc1Nc1ccc(F)cc1.
What is the InChIKey of 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline?
The InChIKey is UAPMEMPLGCNSRY-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19FN2/c1-4-13-10-18(14(11-20)9-17(13)12(2)3)21-16-7-5-15(19)6-8-16/h5-11,20-21H,2,4H2,1,3H3/b20-11+.
What are the key properties of 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline?
5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline has a molecular weight of 282.36 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-fluorophenyl)-2-methanimidoyl-4-prop-1-en-2-ylaniline is sourced from PubChem (CID 144586602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).