2-[(4-fluorophenyl)methylideneamino]aniline

C13H11FN2 — CID 21236289

IUPAC2-[(4-fluorophenyl)methylideneamino]aniline
SMILESNc1ccccc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H11FN2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-9H,15H2/b16-9+
InChIKeyYHVDYXUMXWNWBE-CXUHLZMHSA-N
MW214.24 g/mol
LogP3.16
Rot. Bonds2

About 2-[(4-fluorophenyl)methylideneamino]aniline

2-[(4-fluorophenyl)methylideneamino]aniline (PubChem CID 21236289) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]aniline
PubChem CID21236289
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name2-[(4-fluorophenyl)methylideneamino]aniline
SMILESNc1ccccc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H11FN2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-9H,15H2/b16-9+
InChIKeyYHVDYXUMXWNWBE-CXUHLZMHSA-N
XLogP3.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
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

N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
2-[(4-fluorophenyl)methylideneamino]benzamide
CID 932011
1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
CID 102299449
2-[(2-nitrosophenyl)methylideneamino]aniline
CID 59799408
N-(2-aminophenyl)methanimidoyl iodide
CID 88582390
2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline
CID 139982409
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
CID 141258297
6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 76974055
3-[(4-fluorophenyl)methylideneamino]chromen-2-one
CID 15930943

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylideneamino]aniline?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]aniline (CID 21236289) is 2-[(4-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]aniline is Nc1ccccc1/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]aniline?
The InChIKey is YHVDYXUMXWNWBE-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H11FN2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-9H,15H2/b16-9+.
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]aniline?
2-[(4-fluorophenyl)methylideneamino]aniline has a molecular weight of 214.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 21236289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).