N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline

C14H13FN2 — CID 141421369

IUPACN-[(E)-benzylideneamino]-4-fluoro-N-methylaniline
SMILESCN(/N=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2/c1-17(14-9-7-13(15)8-10-14)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+
InChIKeyXSFDFAXZUXILFX-LFIBNONCSA-N
MW228.27 g/mol
LogP3.30
Rot. Bonds3

About N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline

N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline (PubChem CID 141421369) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-fluoro-N-methylaniline
PubChem CID141421369
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-[(E)-benzylideneamino]-4-fluoro-N-methylaniline
SMILESCN(/N=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2/c1-17(14-9-7-13(15)8-10-14)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+
InChIKeyXSFDFAXZUXILFX-LFIBNONCSA-N
XLogP3.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline?
The IUPAC name of N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline (CID 141421369) is N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline is CN(/N=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline?
The InChIKey is XSFDFAXZUXILFX-LFIBNONCSA-N. The full InChI is InChI=1S/C14H13FN2/c1-17(14-9-7-13(15)8-10-14)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+.
What are the key properties of N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline?
N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline has a molecular weight of 228.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline is sourced from PubChem (CID 141421369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).