[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine

C16H18BrFN2O — CID 106649751

IUPAC[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine
SMILESCc1cccc(OCCC(NN)c2cccc(Br)c2F)c1
InChIInChI=1S/C16H18BrFN2O/c1-11-4-2-5-12(10-11)21-9-8-15(20-19)13-6-3-7-14(17)16(13)18/h2-7,10,15,20H,8-9,19H2,1H3
InChIKeyUAIKBYLXCWTWGN-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.87
Rot. Bonds6

About [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine

[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine (PubChem CID 106649751) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine
PubChem CID106649751
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine
SMILESCc1cccc(OCCC(NN)c2cccc(Br)c2F)c1
InChIInChI=1S/C16H18BrFN2O/c1-11-4-2-5-12(10-11)21-9-8-15(20-19)13-6-3-7-14(17)16(13)18/h2-7,10,15,20H,8-9,19H2,1H3
InChIKeyUAIKBYLXCWTWGN-UHFFFAOYSA-N
XLogP3.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.87
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

[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
CID 106649111
[1-(cyclohexen-1-yl)-3-(3-methylphenoxy)propyl]hydrazine
CID 106650430
[1-(3-methylphenyl)-3-phenoxypropyl]hydrazine
CID 105191420
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
CID 105166777
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine (CID 106649751) is [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine is Cc1cccc(OCCC(NN)c2cccc(Br)c2F)c1.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine?
The InChIKey is UAIKBYLXCWTWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-11-4-2-5-12(10-11)21-9-8-15(20-19)13-6-3-7-14(17)16(13)18/h2-7,10,15,20H,8-9,19H2,1H3.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine?
[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine is sourced from PubChem (CID 106649751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).