3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine

C12H18F3N3 — CID 105259265

IUPAC3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(NN)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-18(2)8-7-11(17-16)9-5-3-4-6-10(9)12(13,14)15/h3-6,11,17H,7-8,16H2,1-2H3
InChIKeyBJPURFFSSOEHOO-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.16
Rot. Bonds5

About 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine

3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 105259265) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID105259265
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(NN)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-18(2)8-7-11(17-16)9-5-3-4-6-10(9)12(13,14)15/h3-6,11,17H,7-8,16H2,1-2H3
InChIKeyBJPURFFSSOEHOO-UHFFFAOYSA-N
XLogP2.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.16
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-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105290966
3-(2,3-dimethylphenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259123
3-hydrazinyl-N,N-dimethyl-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105259287
[2-cyclopentyl-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299132
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105304775
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105304769
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
[2-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105304834
3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259286
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 105259265) is 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine is CN(C)CCC(NN)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is BJPURFFSSOEHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-18(2)8-7-11(17-16)9-5-3-4-6-10(9)12(13,14)15/h3-6,11,17H,7-8,16H2,1-2H3.
What are the key properties of 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105259265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).