4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline

C22H21ClN2O — CID 110840727

IUPAC4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccc(C)c(COc2ccc(C=NNc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H21ClN2O/c1-16-3-4-17(2)19(13-16)15-26-22-11-5-18(6-12-22)14-24-25-21-9-7-20(23)8-10-21/h3-14,25H,15H2,1-2H3
InChIKeyNVVRDQOQGHVTEC-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.98
Rot. Bonds6

About 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline

4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110840727) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110840727
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccc(C)c(COc2ccc(C=NNc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H21ClN2O/c1-16-3-4-17(2)19(13-16)15-26-22-11-5-18(6-12-22)14-24-25-21-9-7-20(23)8-10-21/h3-14,25H,15H2,1-2H3
InChIKeyNVVRDQOQGHVTEC-UHFFFAOYSA-N
XLogP5.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.98
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-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110840934
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
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-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
4-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110337635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 110840727) is 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline is Cc1ccc(C)c(COc2ccc(C=NNc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is NVVRDQOQGHVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-16-3-4-17(2)19(13-16)15-26-22-11-5-18(6-12-22)14-24-25-21-9-7-20(23)8-10-21/h3-14,25H,15H2,1-2H3.
What are the key properties of 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline?
4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 364.88 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110840727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).