[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine

C13H21FN2O — CID 105377808

IUPAC[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1cc(F)ccc1C)NN
InChIInChI=1S/C13H21FN2O/c1-10-5-6-12(14)8-11(10)9-13(16-15)4-3-7-17-2/h5-6,8,13,16H,3-4,7,9,15H2,1-2H3
InChIKeyQENNLEWNFMVPIR-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.94
Rot. Bonds7

About [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine

[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine (PubChem CID 105377808) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
PubChem CID105377808
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1cc(F)ccc1C)NN
InChIInChI=1S/C13H21FN2O/c1-10-5-6-12(14)8-11(10)9-13(16-15)4-3-7-17-2/h5-6,8,13,16H,3-4,7,9,15H2,1-2H3
InChIKeyQENNLEWNFMVPIR-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
[1-(5-fluoro-2-methylphenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105378069
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
[1-(5-fluoro-2-methylphenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105378016
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine (CID 105377808) is [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine is COCCCC(Cc1cc(F)ccc1C)NN.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine?
The InChIKey is QENNLEWNFMVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10-5-6-12(14)8-11(10)9-13(16-15)4-3-7-17-2/h5-6,8,13,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine?
[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine has a molecular weight of 240.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105377808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).