[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine

C12H19BrN2O2 — CID 105235318

IUPAC[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine
SMILESCCOCC(Cc1cc(Br)ccc1OC)NN
InChIInChI=1S/C12H19BrN2O2/c1-3-17-8-11(15-14)7-9-6-10(13)4-5-12(9)16-2/h4-6,11,15H,3,7-8,14H2,1-2H3
InChIKeyXINMSZGVGRBMBZ-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.87
Rot. Bonds7

About [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine

[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine (PubChem CID 105235318) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine
PubChem CID105235318
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine
SMILESCCOCC(Cc1cc(Br)ccc1OC)NN
InChIInChI=1S/C12H19BrN2O2/c1-3-17-8-11(15-14)7-9-6-10(13)4-5-12(9)16-2/h4-6,11,15H,3,7-8,14H2,1-2H3
InChIKeyXINMSZGVGRBMBZ-UHFFFAOYSA-N
XLogP1.87
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.87
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

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine (CID 105235318) is [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine is CCOCC(Cc1cc(Br)ccc1OC)NN.
What is the InChIKey of [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine?
The InChIKey is XINMSZGVGRBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-17-8-11(15-14)7-9-6-10(13)4-5-12(9)16-2/h4-6,11,15H,3,7-8,14H2,1-2H3.
What are the key properties of [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine?
[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine has a molecular weight of 303.20 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105235318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).