4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline

C18H15FN2 — CID 4642052

IUPAC4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline
SMILESCC(=NNc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15FN2/c1-13(20-21-18-10-8-17(19)9-11-18)15-7-6-14-4-2-3-5-16(14)12-15/h2-12,21H,1H3
InChIKeyPKRXEBKYIBPLHA-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.82
Rot. Bonds3

About 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline

4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline (PubChem CID 4642052) has the molecular formula C18H15FN2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline.

Molecular Properties

Compound Name4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline
PubChem CID4642052
Molecular FormulaC18H15FN2
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC Name4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline
SMILESCC(=NNc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15FN2/c1-13(20-21-18-10-8-17(19)9-11-18)15-7-6-14-4-2-3-5-16(14)12-15/h2-12,21H,1H3
InChIKeyPKRXEBKYIBPLHA-UHFFFAOYSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzophenone phenylhydrazone
CID 68456
Benzalacetophenone phenylhydrazone
CID 5716958
4-fluoro-N-[(E)-1-[4-[4-[(E)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146301731
2-Naphthaldehyde phenylhydrazone
CID 9650850
N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 118706106
2-fluoro-N-[(E)-[4-[3-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 134164392
4-fluoro-N-[(E)-[4-[3-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 137394489
N-[(E)-[4-[3-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-2,4-difluoroaniline
CID 137394490
N-[(E)-[4-[3-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline
CID 137394495
N-(fluoren-9-ylideneamino)-3-fluoroaniline
CID 137650700
3-fluoro-N-[(E)-[4-[3-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304313
1-(Diphenylmethylene)-2-(4-fluorophenyl)hydrazine
CID 11694956

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline?
The IUPAC name of 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline (CID 4642052) is 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline.
What is the SMILES notation for 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline?
The canonical SMILES for 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline is CC(=NNc1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline?
The InChIKey is PKRXEBKYIBPLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2/c1-13(20-21-18-10-8-17(19)9-11-18)15-7-6-14-4-2-3-5-16(14)12-15/h2-12,21H,1H3.
What are the key properties of 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline?
4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline has a molecular weight of 278.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline is sourced from PubChem (CID 4642052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).