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

C16H19ClFN3 — CID 102868767

IUPAC3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(Cc2cccc(Cl)c2F)NN)c1
InChIInChI=1S/C16H19ClFN3/c1-21(2)13-7-3-5-11(9-13)15(20-19)10-12-6-4-8-14(17)16(12)18/h3-9,15,20H,10,19H2,1-2H3
InChIKeyNGGOILKIBNAGKZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.29
Rot. Bonds5

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

3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (PubChem CID 102868767) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
PubChem CID102868767
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(Cc2cccc(Cl)c2F)NN)c1
InChIInChI=1S/C16H19ClFN3/c1-21(2)13-7-3-5-11(9-13)15(20-19)10-12-6-4-8-14(17)16(12)18/h3-9,15,20H,10,19H2,1-2H3
InChIKeyNGGOILKIBNAGKZ-UHFFFAOYSA-N
XLogP3.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline (CID 102868767) is 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is CN(C)c1cccc(C(Cc2cccc(Cl)c2F)NN)c1.
What is the InChIKey of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
The InChIKey is NGGOILKIBNAGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-21(2)13-7-3-5-11(9-13)15(20-19)10-12-6-4-8-14(17)16(12)18/h3-9,15,20H,10,19H2,1-2H3.
What are the key properties of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline?
3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline has a molecular weight of 307.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 102868767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).