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

C20H17FN2O — CID 7230041

IUPACN-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccc(COc2ccc(/C=N\Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17FN2O/c21-18-10-6-17(7-11-18)15-24-20-12-8-16(9-13-20)14-22-23-19-4-2-1-3-5-19/h1-14,23H,15H2/b22-14-
InChIKeyHBUBXAVNSMMAGG-HMAPJEAMSA-N
MW320.37 g/mol
LogP4.85
Rot. Bonds6

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

N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 7230041) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID7230041
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC NameN-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccc(COc2ccc(/C=N\Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17FN2O/c21-18-10-6-17(7-11-18)15-24-20-12-8-16(9-13-20)14-22-23-19-4-2-1-3-5-19/h1-14,23H,15H2/b22-14-
InChIKeyHBUBXAVNSMMAGG-HMAPJEAMSA-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

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4200590
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 169383822

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 7230041) is N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is Fc1ccc(COc2ccc(/C=N\Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is HBUBXAVNSMMAGG-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-18-10-6-17(7-11-18)15-24-20-12-8-16(9-13-20)14-22-23-19-4-2-1-3-5-19/h1-14,23H,15H2/b22-14-.
What are the key properties of N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[(Z)-[4-[(4-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-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 7230041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).