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

C13H19BrN2O — CID 105315167

IUPAC[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
SMILESCOc1ccc(Br)c(C(CCC2CC2)NN)c1
InChIInChI=1S/C13H19BrN2O/c1-17-10-5-6-12(14)11(8-10)13(16-15)7-4-9-2-3-9/h5-6,8-9,13,16H,2-4,7,15H2,1H3
InChIKeyACZDVCYEAPUGEI-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.15
Rot. Bonds6

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

[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine (PubChem CID 105315167) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
PubChem CID105315167
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
SMILESCOc1ccc(Br)c(C(CCC2CC2)NN)c1
InChIInChI=1S/C13H19BrN2O/c1-17-10-5-6-12(14)11(8-10)13(16-15)7-4-9-2-3-9/h5-6,8-9,13,16H,2-4,7,15H2,1H3
InChIKeyACZDVCYEAPUGEI-UHFFFAOYSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.15
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-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682
1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
CID 105281554
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298218
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
CID 105330710
[1-(2-bromo-4-fluorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105315093
[1-(4-bromo-3-chlorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105315140
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine (CID 105315167) is [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine is COc1ccc(Br)c(C(CCC2CC2)NN)c1.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine?
The InChIKey is ACZDVCYEAPUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-10-5-6-12(14)11(8-10)13(16-15)7-4-9-2-3-9/h5-6,8-9,13,16H,2-4,7,15H2,1H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine has a molecular weight of 299.21 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine is sourced from PubChem (CID 105315167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).