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

C16H20FN3 — CID 105286335

IUPAC4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2cccc(F)c2)NN)cc1
InChIInChI=1S/C16H20FN3/c1-20(2)15-8-6-13(7-9-15)16(19-18)11-12-4-3-5-14(17)10-12/h3-10,16,19H,11,18H2,1-2H3
InChIKeyOXUDMMZOCDBUEH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.64
Rot. Bonds5

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

4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (PubChem CID 105286335) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
PubChem CID105286335
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cc2cccc(F)c2)NN)cc1
InChIInChI=1S/C16H20FN3/c1-20(2)15-8-6-13(7-9-15)16(19-18)11-12-4-3-5-14(17)10-12/h3-10,16,19H,11,18H2,1-2H3
InChIKeyOXUDMMZOCDBUEH-UHFFFAOYSA-N
XLogP2.64
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.64
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

[2-(3-fluorophenyl)-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105204863
[1-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286334
[1-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105192122
4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105283238
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286398
4-[2-(4-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105342647
3-(3-fluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244646
[1-(3-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106648688
[1-(2,4-difluoro-5-methylphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286436
[2-(3,4-dichlorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105192922
[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192789

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (CID 105286335) is 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(Cc2cccc(F)c2)NN)cc1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The InChIKey is OXUDMMZOCDBUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-20(2)15-8-6-13(7-9-15)16(19-18)11-12-4-3-5-14(17)10-12/h3-10,16,19H,11,18H2,1-2H3.
What are the key properties of 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline has a molecular weight of 273.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105286335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).