N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline

C19H23FN2O — CID 169382049

IUPACN-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
SMILESCCCCCCOc1cc(F)cc(C=NNc2ccccc2)c1
InChIInChI=1S/C19H23FN2O/c1-2-3-4-8-11-23-19-13-16(12-17(20)14-19)15-21-22-18-9-6-5-7-10-18/h5-7,9-10,12-15,22H,2-4,8,11H2,1H3
InChIKeyHGSYUALXWDAAMG-UHFFFAOYSA-N
MW314.40 g/mol
LogP5.23
Rot. Bonds9

About N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline

N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline (PubChem CID 169382049) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
PubChem CID169382049
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
SMILESCCCCCCOc1cc(F)cc(C=NNc2ccccc2)c1
InChIInChI=1S/C19H23FN2O/c1-2-3-4-8-11-23-19-13-16(12-17(20)14-19)15-21-22-18-9-6-5-7-10-18/h5-7,9-10,12-15,22H,2-4,8,11H2,1H3
InChIKeyHGSYUALXWDAAMG-UHFFFAOYSA-N
XLogP5.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 55.23
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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Related Compounds

N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577042
N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
CID 169381901
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382672
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
CID 169381913
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
CID 169381912
2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline
CID 4155151
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline (CID 169382049) is N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline is CCCCCCOc1cc(F)cc(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline?
The InChIKey is HGSYUALXWDAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-2-3-4-8-11-23-19-13-16(12-17(20)14-19)15-21-22-18-9-6-5-7-10-18/h5-7,9-10,12-15,22H,2-4,8,11H2,1H3.
What are the key properties of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline?
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline has a molecular weight of 314.40 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169382049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).