[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine

C12H17BrN2O — CID 105202342

IUPAC[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
SMILESCOc1ccc(CC(NN)C2CC2)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-16-12-5-2-8(6-10(12)13)7-11(15-14)9-3-4-9/h2,5-6,9,11,15H,3-4,7,14H2,1H3
InChIKeyPYVBNZIQQUXPKI-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.24
Rot. Bonds5

About [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine

[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine (PubChem CID 105202342) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
PubChem CID105202342
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
SMILESCOc1ccc(CC(NN)C2CC2)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-16-12-5-2-8(6-10(12)13)7-11(15-14)9-3-4-9/h2,5-6,9,11,15H,3-4,7,14H2,1H3
InChIKeyPYVBNZIQQUXPKI-UHFFFAOYSA-N
XLogP2.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.24
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-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
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[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine (CID 105202342) is [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine is COc1ccc(CC(NN)C2CC2)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine?
The InChIKey is PYVBNZIQQUXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-12-5-2-8(6-10(12)13)7-11(15-14)9-3-4-9/h2,5-6,9,11,15H,3-4,7,14H2,1H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine?
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine has a molecular weight of 285.19 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine is sourced from PubChem (CID 105202342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).