[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine

C12H19FN2O — CID 105325359

IUPAC[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
SMILESCCOCCC(NN)c1cc(C)cc(F)c1
InChIInChI=1S/C12H19FN2O/c1-3-16-5-4-12(15-14)10-6-9(2)7-11(13)8-10/h6-8,12,15H,3-5,14H2,1-2H3
InChIKeyDJZKLGYQBOFLIF-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.07
Rot. Bonds6

About [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine

[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine (PubChem CID 105325359) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
PubChem CID105325359
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
SMILESCCOCCC(NN)c1cc(C)cc(F)c1
InChIInChI=1S/C12H19FN2O/c1-3-16-5-4-12(15-14)10-6-9(2)7-11(13)8-10/h6-8,12,15H,3-5,14H2,1-2H3
InChIKeyDJZKLGYQBOFLIF-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.07
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

[3-ethoxy-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 105328621
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
[1-(3,5-dimethylphenyl)-3-methoxypropyl]hydrazine
CID 105206512
[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984862
[3-cyclopentyl-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
CID 105325325
[1-(3-fluoro-5-methylphenyl)-3-methylidenepentyl]hydrazine
CID 105257527
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
1-(3,5-difluorophenyl)propylhydrazine
CID 53402270
[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
CID 105284873
1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
CID 105141977
[1-(3,5-dimethylphenyl)-3-phenoxypropyl]hydrazine
CID 105191519

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine?
The IUPAC name of [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine (CID 105325359) is [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine.
What is the SMILES notation for [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine?
The canonical SMILES for [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine is CCOCCC(NN)c1cc(C)cc(F)c1.
What is the InChIKey of [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine?
The InChIKey is DJZKLGYQBOFLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-16-5-4-12(15-14)10-6-9(2)7-11(13)8-10/h6-8,12,15H,3-5,14H2,1-2H3.
What are the key properties of [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine?
[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine has a molecular weight of 226.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine is sourced from PubChem (CID 105325359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).