4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline

C17H19FN2O3 — CID 6383244

IUPAC4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1cc(OC)c(/C(C)=N\Nc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H19FN2O3/c1-11(19-20-13-7-5-12(18)6-8-13)17-15(22-3)9-14(21-2)10-16(17)23-4/h5-10,20H,1-4H3/b19-11-
InChIKeyTWVKLRGADSRWSD-ODLFYWEKSA-N
MW318.35 g/mol
LogP3.69
Rot. Bonds6

About 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline

4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline (PubChem CID 6383244) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
PubChem CID6383244
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1cc(OC)c(/C(C)=N\Nc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H19FN2O3/c1-11(19-20-13-7-5-12(18)6-8-13)17-15(22-3)9-14(21-2)10-16(17)23-4/h5-10,20H,1-4H3/b19-11-
InChIKeyTWVKLRGADSRWSD-ODLFYWEKSA-N
XLogP3.69
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline (CID 6383244) is 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline is COc1cc(OC)c(/C(C)=N\Nc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
The InChIKey is TWVKLRGADSRWSD-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(19-20-13-7-5-12(18)6-8-13)17-15(22-3)9-14(21-2)10-16(17)23-4/h5-10,20H,1-4H3/b19-11-.
What are the key properties of 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline has a molecular weight of 318.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline is sourced from PubChem (CID 6383244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).