N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

C20H17FN2O — CID 110339740

IUPACN-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C20H17FN2O/c21-20-9-5-4-6-17(20)15-24-19-12-10-16(11-13-19)14-22-23-18-7-2-1-3-8-18/h1-14,23H,15H2/b22-14+
InChIKeyUWIYBQVVYXROKP-HYARGMPZSA-N
MW320.37 g/mol
LogP4.85
Rot. Bonds6

About N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110339740) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110339740
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC NameN-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C20H17FN2O/c21-20-9-5-4-6-17(20)15-24-19-12-10-16(11-13-19)14-22-23-18-7-2-1-3-8-18/h1-14,23H,15H2/b22-14+
InChIKeyUWIYBQVVYXROKP-HYARGMPZSA-N
XLogP4.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
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

4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840683
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 71950877
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 169383822
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 8930542

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 110339740) is N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is Fc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is UWIYBQVVYXROKP-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-20-9-5-4-6-17(20)15-24-19-12-10-16(11-13-19)14-22-23-18-7-2-1-3-8-18/h1-14,23H,15H2/b22-14+.
What are the key properties of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 320.37 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110339740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).