[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine

C15H21BrN2O — CID 105290129

IUPAC[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)C1CC2CC2C1
InChIInChI=1S/C15H21BrN2O/c1-19-15-3-2-13(16)7-12(15)8-14(18-17)11-5-9-4-10(9)6-11/h2-3,7,9-11,14,18H,4-6,8,17H2,1H3
InChIKeyDQAONZWCHYYAQO-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.88
Rot. Bonds5

About [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine

[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine (PubChem CID 105290129) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
PubChem CID105290129
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)C1CC2CC2C1
InChIInChI=1S/C15H21BrN2O/c1-19-15-3-2-13(16)7-12(15)8-14(18-17)11-5-9-4-10(9)6-11/h2-3,7,9-11,14,18H,4-6,8,17H2,1H3
InChIKeyDQAONZWCHYYAQO-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.88
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

1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115816995
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
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1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547

Frequently Asked Questions

What is the IUPAC name of [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine (CID 105290129) is [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine is COc1ccc(Br)cc1CC(NN)C1CC2CC2C1.
What is the InChIKey of [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine?
The InChIKey is DQAONZWCHYYAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-19-15-3-2-13(16)7-12(15)8-14(18-17)11-5-9-4-10(9)6-11/h2-3,7,9-11,14,18H,4-6,8,17H2,1H3.
What are the key properties of [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine?
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine has a molecular weight of 325.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105290129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).