N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline

C15H15FN2O2 — CID 9076349

IUPACN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
SMILESCOc1cccc(/C=N\Nc2ccc(F)cc2)c1OC
InChIInChI=1S/C15H15FN2O2/c1-19-14-5-3-4-11(15(14)20-2)10-17-18-13-8-6-12(16)7-9-13/h3-10,18H,1-2H3/b17-10-
InChIKeyANOBLIFRVCCKEQ-YVLHZVERSA-N
MW274.30 g/mol
LogP3.29
Rot. Bonds5

About N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline (PubChem CID 9076349) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
PubChem CID9076349
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
SMILESCOc1cccc(/C=N\Nc2ccc(F)cc2)c1OC
InChIInChI=1S/C15H15FN2O2/c1-19-14-5-3-4-11(15(14)20-2)10-17-18-13-8-6-12(16)7-9-13/h3-10,18H,1-2H3/b17-10-
InChIKeyANOBLIFRVCCKEQ-YVLHZVERSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.29
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)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
CID 78597503
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
5-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337120
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 5335657

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline (CID 9076349) is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline is COc1cccc(/C=N\Nc2ccc(F)cc2)c1OC.
What is the InChIKey of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline?
The InChIKey is ANOBLIFRVCCKEQ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-19-14-5-3-4-11(15(14)20-2)10-17-18-13-8-6-12(16)7-9-13/h3-10,18H,1-2H3/b17-10-.
What are the key properties of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline?
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline has a molecular weight of 274.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 9076349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).