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

C20H17ClN2O — CID 96878825

IUPACN-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESClc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17ClN2O/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+
InChIKeyMMFIQXADJABVSB-HYARGMPZSA-N
MW336.82 g/mol
LogP5.36
Rot. Bonds6

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

N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 96878825) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID96878825
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESClc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17ClN2O/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+
InChIKeyMMFIQXADJABVSB-HYARGMPZSA-N
XLogP5.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.36
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-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
4-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110337635
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-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 96878825) is N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline is Clc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is MMFIQXADJABVSB-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17ClN2O/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-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 336.82 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 96878825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).