4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline

C18H21Cl2N3 — CID 19060062

IUPAC4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H21Cl2N3/c1-3-23(4-2)15-10-8-14(9-11-15)12-21-22-13-16-17(19)6-5-7-18(16)20/h5-12,22H,3-4,13H2,1-2H3/b21-12+
InChIKeyAUWJZHWZMSKLNT-CIAFOILYSA-N
MW350.29 g/mol
LogP4.96
Rot. Bonds7

About 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline

4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline (PubChem CID 19060062) has the molecular formula C18H21Cl2N3 and a molecular weight of 350.29 g/mol. Its IUPAC name is 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline
PubChem CID19060062
Molecular FormulaC18H21Cl2N3
Molecular Weight350.29 g/mol
Exact Mass349.11
IUPAC Name4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H21Cl2N3/c1-3-23(4-2)15-10-8-14(9-11-15)12-21-22-13-16-17(19)6-5-7-18(16)20/h5-12,22H,3-4,13H2,1-2H3/b21-12+
InChIKeyAUWJZHWZMSKLNT-CIAFOILYSA-N
XLogP4.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline (CID 19060062) is 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline?
The InChIKey is AUWJZHWZMSKLNT-CIAFOILYSA-N. The full InChI is InChI=1S/C18H21Cl2N3/c1-3-23(4-2)15-10-8-14(9-11-15)12-21-22-13-16-17(19)6-5-7-18(16)20/h5-12,22H,3-4,13H2,1-2H3/b21-12+.
What are the key properties of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline?
4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline has a molecular weight of 350.29 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-diethylaniline is sourced from PubChem (CID 19060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).