N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline

C17H19FN2 — CID 620508

IUPACN,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline
SMILESCCN(CC)c1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyFLFSBDVEUBSBRL-CPNJWEJPSA-N
MW270.35 g/mol
LogP4.42
Rot. Bonds5

About N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline

N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline (PubChem CID 620508) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline
PubChem CID620508
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline
SMILESCCN(CC)c1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyFLFSBDVEUBSBRL-CPNJWEJPSA-N
XLogP4.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline?
The IUPAC name of N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline (CID 620508) is N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline is CCN(CC)c1ccc(/C=N/c2ccc(F)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline?
The InChIKey is FLFSBDVEUBSBRL-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-13H,3-4H2,1-2H3/b19-13+.
What are the key properties of N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline?
N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-fluorophenyl)iminomethyl]aniline is sourced from PubChem (CID 620508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).