[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

C14H21F3N2O — CID 105337979

IUPAC[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCOCCC(C)C(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O/c1-10(7-8-20-2)13(19-18)9-11-3-5-12(6-4-11)14(15,16)17/h3-6,10,13,19H,7-9,18H2,1-2H3
InChIKeyLNZCOMWKDXOKSJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.75
Rot. Bonds7

About [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (PubChem CID 105337979) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
PubChem CID105337979
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCOCCC(C)C(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O/c1-10(7-8-20-2)13(19-18)9-11-3-5-12(6-4-11)14(15,16)17/h3-6,10,13,19H,7-9,18H2,1-2H3
InChIKeyLNZCOMWKDXOKSJ-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.75
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

N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
(5-methoxy-3-methyl-1-pyridin-4-ylpentan-2-yl)hydrazine
CID 105212316
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
1-(2-bromo-4-methoxybutyl)-4-(trifluoromethyl)benzene
CID 63018737
[1-(2,6-difluorophenyl)-5-methoxy-3-methylpentan-2-yl]hydrazine
CID 105337870
[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105275446
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684
1-(2-chloro-5-methoxypentyl)-4-(trifluoromethyl)benzene
CID 114198195
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (CID 105337979) is [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is COCCC(C)C(Cc1ccc(C(F)(F)F)cc1)NN.
What is the InChIKey of [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The InChIKey is LNZCOMWKDXOKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-10(7-8-20-2)13(19-18)9-11-3-5-12(6-4-11)14(15,16)17/h3-6,10,13,19H,7-9,18H2,1-2H3.
What are the key properties of [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine has a molecular weight of 290.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 105337979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).