N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline

C21H19ClN2O — CID 110505513

IUPACN-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O/c1-16-7-10-19(11-8-16)24-23-14-18-9-12-21(20(22)13-18)25-15-17-5-3-2-4-6-17/h2-14,24H,15H2,1H3/b23-14+
InChIKeyTXTCFOUQOSPYCR-OEAKJJBVSA-N
MW350.85 g/mol
LogP5.67
Rot. Bonds6

About N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline

N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 110505513) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
PubChem CID110505513
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC NameN-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O/c1-16-7-10-19(11-8-16)24-23-14-18-9-12-21(20(22)13-18)25-15-17-5-3-2-4-6-17/h2-14,24H,15H2,1H3/b23-14+
InChIKeyTXTCFOUQOSPYCR-OEAKJJBVSA-N
XLogP5.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.67
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-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841957
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840047
N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110530035
3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506478
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1342169
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline (CID 110505513) is N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline is Cc1ccc(N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is TXTCFOUQOSPYCR-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-16-7-10-19(11-8-16)24-23-14-18-9-12-21(20(22)13-18)25-15-17-5-3-2-4-6-17/h2-14,24H,15H2,1H3/b23-14+.
What are the key properties of N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline?
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 350.85 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 110505513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).