4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline

C17H20ClN3 — CID 110506082

IUPAC4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN3/c1-3-21(4-2)17-11-5-14(6-12-17)13-19-20-16-9-7-15(18)8-10-16/h5-13,20H,3-4H2,1-2H3/b19-13+
InChIKeyYXUWJVBQFYOBAM-CPNJWEJPSA-N
MW301.82 g/mol
LogP4.63
Rot. Bonds6

About 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline (PubChem CID 110506082) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
PubChem CID110506082
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN3/c1-3-21(4-2)17-11-5-14(6-12-17)13-19-20-16-9-7-15(18)8-10-16/h5-13,20H,3-4H2,1-2H3/b19-13+
InChIKeyYXUWJVBQFYOBAM-CPNJWEJPSA-N
XLogP4.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.63
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

3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
4-[2-[[4-[ethyl(4-hydroxybutyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
CID 164863185
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728670
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline (CID 110506082) is 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=N/Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline?
The InChIKey is YXUWJVBQFYOBAM-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-3-21(4-2)17-11-5-14(6-12-17)13-19-20-16-9-7-15(18)8-10-16/h5-13,20H,3-4H2,1-2H3/b19-13+.
What are the key properties of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline?
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline has a molecular weight of 301.82 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline is sourced from PubChem (CID 110506082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).