N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine

C16H15FN2O — CID 54221747

IUPACN-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCOc1ccc(C=NN=Cc2ccc(C)cc2)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-12-3-5-13(6-4-12)10-18-19-11-14-7-8-15(20-2)9-16(14)17/h3-11H,1-2H3
InChIKeyQDBMGRMXZUSQMV-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.60
Rot. Bonds4

About N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine

N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine (PubChem CID 54221747) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
PubChem CID54221747
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCOc1ccc(C=NN=Cc2ccc(C)cc2)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-12-3-5-13(6-4-12)10-18-19-11-14-7-8-15(20-2)9-16(14)17/h3-11H,1-2H3
InChIKeyQDBMGRMXZUSQMV-UHFFFAOYSA-N
XLogP3.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 54461831
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
(E)-N-[(E)-(4-ethyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368641
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
CID 135083783
N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
CID 54205249
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368335
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368279
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368822
2-fluoro-4-[(E)-[(E)-(4-methylphenyl)methylidenehydrazinylidene]methyl]benzonitrile
CID 19368912

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine (CID 54221747) is N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine is COc1ccc(C=NN=Cc2ccc(C)cc2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The InChIKey is QDBMGRMXZUSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12-3-5-13(6-4-12)10-18-19-11-14-7-8-15(20-2)9-16(14)17/h3-11H,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine has a molecular weight of 270.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 54221747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).