N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline

C20H17ClN2O — CID 169383078

IUPACN-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESClc1cccc(COc2ccc(C=NNc3ccccc3)cc2)c1
InChIInChI=1S/C20H17ClN2O/c21-18-6-4-5-17(13-18)15-24-20-11-9-16(10-12-20)14-22-23-19-7-2-1-3-8-19/h1-14,23H,15H2
InChIKeyOPRGPEAKNIYRGX-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.36
Rot. Bonds6

About N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline

N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169383078) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169383078
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESClc1cccc(COc2ccc(C=NNc3ccccc3)cc2)c1
InChIInChI=1S/C20H17ClN2O/c21-18-6-4-5-17(13-18)15-24-20-11-9-16(10-12-20)14-22-23-19-7-2-1-3-8-19/h1-14,23H,15H2
InChIKeyOPRGPEAKNIYRGX-UHFFFAOYSA-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

4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
2-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339708
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618498
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 169383078) is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline is Clc1cccc(COc2ccc(C=NNc3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is OPRGPEAKNIYRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-18-6-4-5-17(13-18)15-24-20-11-9-16(10-12-20)14-22-23-19-7-2-1-3-8-19/h1-14,23H,15H2.
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[4-[(3-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-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).