[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine

C13H19F3N2O2 — CID 105337978

IUPAC[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
SMILESCOCCC(C)C(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O2/c1-9(7-8-19-2)12(18-17)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3
InChIKeyXUSAFYGEADPBTB-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.76
Rot. Bonds7

About [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine

[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine (PubChem CID 105337978) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
PubChem CID105337978
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
SMILESCOCCC(C)C(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O2/c1-9(7-8-19-2)12(18-17)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3
InChIKeyXUSAFYGEADPBTB-UHFFFAOYSA-N
XLogP2.76
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
CID 105307892
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 166838574
[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105321443
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
The IUPAC name of [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine (CID 105337978) is [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine.
What is the SMILES notation for [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
The canonical SMILES for [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine is COCCC(C)C(NN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
The InChIKey is XUSAFYGEADPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-9(7-8-19-2)12(18-17)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3.
What are the key properties of [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine has a molecular weight of 292.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine is sourced from PubChem (CID 105337978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).