N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline

C16H16Cl2N2O2 — CID 110509009

IUPACN-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCOc1c(Cl)cc(/C=N/Nc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-3-22-16-14(17)8-11(9-15(16)18)10-19-20-12-4-6-13(21-2)7-5-12/h4-10,20H,3H2,1-2H3/b19-10+
InChIKeyNFSUQFPTXDQNKA-VXLYETTFSA-N
MW339.22 g/mol
LogP4.85
Rot. Bonds6

About N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline

N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline (PubChem CID 110509009) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
PubChem CID110509009
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCOc1c(Cl)cc(/C=N/Nc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-3-22-16-14(17)8-11(9-15(16)18)10-19-20-12-4-6-13(21-2)7-5-12/h4-10,20H,3H2,1-2H3/b19-10+
InChIKeyNFSUQFPTXDQNKA-VXLYETTFSA-N
XLogP4.85
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136786911
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
3-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505319
N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504886
3-[(2E)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789245
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline?
The IUPAC name of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline (CID 110509009) is N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline.
What is the SMILES notation for N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline?
The canonical SMILES for N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline is CCOc1c(Cl)cc(/C=N/Nc2ccc(OC)cc2)cc1Cl.
What is the InChIKey of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline?
The InChIKey is NFSUQFPTXDQNKA-VXLYETTFSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-3-22-16-14(17)8-11(9-15(16)18)10-19-20-12-4-6-13(21-2)7-5-12/h4-10,20H,3H2,1-2H3/b19-10+.
What are the key properties of N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline?
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline has a molecular weight of 339.22 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline is sourced from PubChem (CID 110509009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).