3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline

C16H19BrClN3 — CID 105335162

IUPAC3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(Cc2ccc(Br)cc2Cl)NN)c1
InChIInChI=1S/C16H19BrClN3/c1-21(2)14-5-3-4-12(8-14)16(20-19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16,20H,9,19H2,1-2H3
InChIKeyGOPBARZCQVGZKN-UHFFFAOYSA-N
MW368.71 g/mol
LogP3.92
Rot. Bonds5

About 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline

3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (PubChem CID 105335162) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
PubChem CID105335162
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(Cc2ccc(Br)cc2Cl)NN)c1
InChIInChI=1S/C16H19BrClN3/c1-21(2)14-5-3-4-12(8-14)16(20-19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16,20H,9,19H2,1-2H3
InChIKeyGOPBARZCQVGZKN-UHFFFAOYSA-N
XLogP3.92
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.71
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335141
[2-(4-bromo-2-chlorophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105191998
[2-(4-bromo-2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252774
[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196835
[1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
CID 105335248
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105335217
[2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105223390
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105335211
3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
CID 105310254
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
[2-(2-chloro-4-methylphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 106868566
[2-(4-bromo-2-chlorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105335235

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (CID 105335162) is 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is CN(C)c1cccc(C(Cc2ccc(Br)cc2Cl)NN)c1.
What is the InChIKey of 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The InChIKey is GOPBARZCQVGZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-21(2)14-5-3-4-12(8-14)16(20-19)9-11-6-7-13(17)10-15(11)18/h3-8,10,16,20H,9,19H2,1-2H3.
What are the key properties of 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline has a molecular weight of 368.71 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105335162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).