2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline

C19H22F2N2O — CID 4155151

IUPAC2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline
SMILESCCCCCCOc1ccc(C=NNc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O/c1-2-3-4-5-12-24-17-9-6-15(7-10-17)14-22-23-19-11-8-16(20)13-18(19)21/h6-11,13-14,23H,2-5,12H2,1H3
InChIKeyWRTYEJPXAQMJGD-UHFFFAOYSA-N
MW332.39 g/mol
LogP5.37
Rot. Bonds9

About 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline

2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline (PubChem CID 4155151) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline
PubChem CID4155151
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline
SMILESCCCCCCOc1ccc(C=NNc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O/c1-2-3-4-5-12-24-17-9-6-15(7-10-17)14-22-23-19-11-8-16(20)13-18(19)21/h6-11,13-14,23H,2-5,12H2,1H3
InChIKeyWRTYEJPXAQMJGD-UHFFFAOYSA-N
XLogP5.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline (CID 4155151) is 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline is CCCCCCOc1ccc(C=NNc2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline?
The InChIKey is WRTYEJPXAQMJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-2-3-4-5-12-24-17-9-6-15(7-10-17)14-22-23-19-11-8-16(20)13-18(19)21/h6-11,13-14,23H,2-5,12H2,1H3.
What are the key properties of 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline?
2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline has a molecular weight of 332.39 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 4155151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).