2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine

C11H16F3N3O — CID 107104668

IUPAC2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCN(C)NC(CN)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-17(2)16-10(7-15)8-4-3-5-9(6-8)18-11(12,13)14/h3-6,10,16H,7,15H2,1-2H3
InChIKeyVLJKACVAVUPMPB-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine

2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 107104668) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID107104668
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCN(C)NC(CN)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-17(2)16-10(7-15)8-4-3-5-9(6-8)18-11(12,13)14/h3-6,10,16H,7,15H2,1-2H3
InChIKeyVLJKACVAVUPMPB-UHFFFAOYSA-N
XLogP1.65
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104677
N-(2-ethylbutyl)-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104687
N-methyl-N-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104598
N-ethyl-N-methyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104604
N-methyl-N-pentan-3-yl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104622
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
2-[fluoro-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443824
[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105207651
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
[2-propyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105305170
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine (CID 107104668) is 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine is CN(C)NC(CN)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is VLJKACVAVUPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-17(2)16-10(7-15)8-4-3-5-9(6-8)18-11(12,13)14/h3-6,10,16H,7,15H2,1-2H3.
What are the key properties of 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine?
2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 107104668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).