4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline

C17H19FN2O2 — CID 110506232

IUPAC4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1c(/C=N/Nc2ccc(F)cc2)cccc1OC
InChIInChI=1S/C17H19FN2O2/c1-3-11-22-17-13(5-4-6-16(17)21-2)12-19-20-15-9-7-14(18)8-10-15/h4-10,12,20H,3,11H2,1-2H3/b19-12+
InChIKeyYSSJZPBYEMPMLR-XDHOZWIPSA-N
MW302.35 g/mol
LogP4.07
Rot. Bonds7

About 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline

4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline (PubChem CID 110506232) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
PubChem CID110506232
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1c(/C=N/Nc2ccc(F)cc2)cccc1OC
InChIInChI=1S/C17H19FN2O2/c1-3-11-22-17-13(5-4-6-16(17)21-2)12-19-20-15-9-7-14(18)8-10-15/h4-10,12,20H,3,11H2,1-2H3/b19-12+
InChIKeyYSSJZPBYEMPMLR-XDHOZWIPSA-N
XLogP4.07
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504984
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839989
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
CID 169383267
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
2-fluoro-N-[3-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3269745
4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
CID 78597503

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline (CID 110506232) is 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline is CCCOc1c(/C=N/Nc2ccc(F)cc2)cccc1OC.
What is the InChIKey of 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline?
The InChIKey is YSSJZPBYEMPMLR-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-11-22-17-13(5-4-6-16(17)21-2)12-19-20-15-9-7-14(18)8-10-15/h4-10,12,20H,3,11H2,1-2H3/b19-12+.
What are the key properties of 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline?
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline has a molecular weight of 302.35 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110506232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).