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

C16H19BrClN3 — CID 105335141

IUPAC4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2ccc(Br)cc2Cl)NN)cc1
InChIInChI=1S/C16H19BrClN3/c1-21(2)14-7-4-11(5-8-14)16(20-19)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,9,19H2,1-2H3
InChIKeyFVIAUGMREQTYEL-UHFFFAOYSA-N
MW368.71 g/mol
LogP3.92
Rot. Bonds5

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

4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (PubChem CID 105335141) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
PubChem CID105335141
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2ccc(Br)cc2Cl)NN)cc1
InChIInChI=1S/C16H19BrClN3/c1-21(2)14-7-4-11(5-8-14)16(20-19)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,9,19H2,1-2H3
InChIKeyFVIAUGMREQTYEL-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': '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

3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335162
4-[2-(4-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105342647
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105335211
[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196835
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105335217
[2-(4-bromo-2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252774
[2-(4-bromo-2-chlorophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105191998
[2-(4-bromo-2-chlorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105335235
4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105283238
[2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105335180
[1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 107978987
[1-(4-bromophenyl)-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105192530

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (CID 105335141) is 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(Cc2ccc(Br)cc2Cl)NN)cc1.
What is the InChIKey of 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The InChIKey is FVIAUGMREQTYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-21(2)14-7-4-11(5-8-14)16(20-19)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,9,19H2,1-2H3.
What are the key properties of 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
4-[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 4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105335141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).