4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline

C16H20ClN3 — CID 105283238

IUPAC4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2ccc(Cl)cc2)NN)cc1
InChIInChI=1S/C16H20ClN3/c1-20(2)15-9-5-13(6-10-15)16(19-18)11-12-3-7-14(17)8-4-12/h3-10,16,19H,11,18H2,1-2H3
InChIKeyXYOQBGRVJWVPAY-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline

4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (PubChem CID 105283238) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
PubChem CID105283238
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2ccc(Cl)cc2)NN)cc1
InChIInChI=1S/C16H20ClN3/c1-20(2)15-9-5-13(6-10-15)16(19-18)11-12-3-7-14(17)8-4-12/h3-10,16,19H,11,18H2,1-2H3
InChIKeyXYOQBGRVJWVPAY-UHFFFAOYSA-N
XLogP3.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105342647
4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105286335
4-[2-(4-iodophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152002
4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335141
[2-(4-chlorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 105197622
1,2-bis(4-bromophenyl)ethylhydrazine
CID 105192515
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
CID 105310254
[1-(3-bromophenyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105198151
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
CID 105316424

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (CID 105283238) is 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(Cc2ccc(Cl)cc2)NN)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The InChIKey is XYOQBGRVJWVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20(2)15-9-5-13(6-10-15)16(19-18)11-12-3-7-14(17)8-4-12/h3-10,16,19H,11,18H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline has a molecular weight of 289.81 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105283238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).