4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline

C17H13FN2 — CID 78597503

IUPAC4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
SMILESFc1ccc(NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H13FN2/c18-15-8-10-16(11-9-15)20-19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,20H
InChIKeyJSEXDENHANHILW-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.42
Rot. Bonds3

About 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline

4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline (PubChem CID 78597503) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline.

Molecular Properties

Compound Name4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
PubChem CID78597503
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
SMILESFc1ccc(NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H13FN2/c18-15-8-10-16(11-9-15)20-19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,20H
InChIKeyJSEXDENHANHILW-UHFFFAOYSA-N
XLogP4.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
CID 110842073
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840868
4-fluoro-N-[3-methyl-1-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3537718

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline?
The IUPAC name of 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline (CID 78597503) is 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline.
What is the SMILES notation for 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline?
The canonical SMILES for 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline is Fc1ccc(NN=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline?
The InChIKey is JSEXDENHANHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c18-15-8-10-16(11-9-15)20-19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,20H.
What are the key properties of 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline?
4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline has a molecular weight of 264.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline is sourced from PubChem (CID 78597503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).