4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline

C21H19FN2O2 — CID 110840797

IUPAC4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccc(F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C21H19FN2O2/c1-25-20-12-7-17(14-23-24-19-10-8-18(22)9-11-19)13-21(20)26-15-16-5-3-2-4-6-16/h2-14,24H,15H2,1H3
InChIKeyVMTMJXVDRKJVMP-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.86
Rot. Bonds7

About 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline

4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline (PubChem CID 110840797) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
PubChem CID110840797
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccc(F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C21H19FN2O2/c1-25-20-12-7-17(14-23-24-19-10-8-18(22)9-11-19)13-21(20)26-15-16-5-3-2-4-6-16/h2-14,24H,15H2,1H3
InChIKeyVMTMJXVDRKJVMP-UHFFFAOYSA-N
XLogP4.86
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.86
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

4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 5348595
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 168535028
4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3425787
4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline
CID 9076506

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline (CID 110840797) is 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline is COc1ccc(C=NNc2ccc(F)cc2)cc1OCc1ccccc1.
What is the InChIKey of 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline?
The InChIKey is VMTMJXVDRKJVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-25-20-12-7-17(14-23-24-19-10-8-18(22)9-11-19)13-21(20)26-15-16-5-3-2-4-6-16/h2-14,24H,15H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline?
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline has a molecular weight of 350.39 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110840797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).