[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine

C13H19F3N2O — CID 105207651

IUPAC[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
SMILESCC(C)CCC(NN)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-9(2)6-7-12(18-17)10-4-3-5-11(8-10)19-13(14,15)16/h3-5,8-9,12,18H,6-7,17H2,1-2H3
InChIKeyQWQYVMAMTBYAQA-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.53
Rot. Bonds6

About [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine

[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine (PubChem CID 105207651) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine.

Molecular Properties

Compound Name[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
PubChem CID105207651
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
SMILESCC(C)CCC(NN)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-9(2)6-7-12(18-17)10-4-3-5-11(8-10)19-13(14,15)16/h3-5,8-9,12,18H,6-7,17H2,1-2H3
InChIKeyQWQYVMAMTBYAQA-UHFFFAOYSA-N
XLogP3.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.53
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'}

Analyze [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
(1R,2S)-1-amino-5-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-2-ol
CID 171264181
[1-(3-cyclopropyloxyphenyl)-4-methylpentyl]hydrazine
CID 105207737
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
[2-propyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105305170
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
(4-methyl-1-phenylpentyl)hydrazine
CID 105199155
2-[fluoro-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443824
2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104668
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 105145817
[2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105274524

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine?
The IUPAC name of [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine (CID 105207651) is [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine.
What is the SMILES notation for [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine?
The canonical SMILES for [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine is CC(C)CCC(NN)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine?
The InChIKey is QWQYVMAMTBYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-9(2)6-7-12(18-17)10-4-3-5-11(8-10)19-13(14,15)16/h3-5,8-9,12,18H,6-7,17H2,1-2H3.
What are the key properties of [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine?
[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine has a molecular weight of 276.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine is sourced from PubChem (CID 105207651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).