4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline

C17H17FN2O2 — CID 9076506

IUPAC4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline
SMILESC=CCOc1ccc(/C=N\Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17FN2O2/c1-3-10-22-16-9-4-13(11-17(16)21-2)12-19-20-15-7-5-14(18)6-8-15/h3-9,11-12,20H,1,10H2,2H3/b19-12-
InChIKeyRDEBGASIFFYFIM-UNOMPAQXSA-N
MW300.33 g/mol
LogP3.85
Rot. Bonds7

About 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline

4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline (PubChem CID 9076506) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline
PubChem CID9076506
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline
SMILESC=CCOc1ccc(/C=N\Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17FN2O2/c1-3-10-22-16-9-4-13(11-17(16)21-2)12-19-20-15-7-5-14(18)6-8-15/h3-9,11-12,20H,1,10H2,2H3/b19-12-
InChIKeyRDEBGASIFFYFIM-UNOMPAQXSA-N
XLogP3.85
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9076523
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
CID 9060725
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 19617455
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126174502
2-hydroxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 3247960
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076289
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
1-(4-fluorophenyl)-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]thiourea
CID 9469345

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline (CID 9076506) is 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline is C=CCOc1ccc(/C=N\Nc2ccc(F)cc2)cc1OC.
What is the InChIKey of 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline?
The InChIKey is RDEBGASIFFYFIM-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-10-22-16-9-4-13(11-17(16)21-2)12-19-20-15-7-5-14(18)6-8-15/h3-9,11-12,20H,1,10H2,2H3/b19-12-.
What are the key properties of 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline?
4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline has a molecular weight of 300.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 9076506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).