[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine

C13H19BrN2O — CID 105272881

IUPAC[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
SMILESCOC(C1CC1)C(Cc1ccc(Br)cc1)NN
InChIInChI=1S/C13H19BrN2O/c1-17-13(10-4-5-10)12(16-15)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,12-13,16H,4-5,8,15H2,1H3
InChIKeyVWOWJZWJRIWUPG-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.25
Rot. Bonds6

About [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine

[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine (PubChem CID 105272881) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
PubChem CID105272881
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
SMILESCOC(C1CC1)C(Cc1ccc(Br)cc1)NN
InChIInChI=1S/C13H19BrN2O/c1-17-13(10-4-5-10)12(16-15)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,12-13,16H,4-5,8,15H2,1H3
InChIKeyVWOWJZWJRIWUPG-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-cyclohexyl-3-(4-fluorophenyl)-1-methoxypropan-2-yl]hydrazine
CID 105278577
(1-cyclohexyl-1-methoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105278717
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
[3-(4-tert-butylphenyl)-1-cyclopropyl-1-ethoxypropan-2-yl]hydrazine
CID 105273143
[1-cyclopropyl-1-ethoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105272958
[2-cyclopropyl-2-methoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272652
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
[1-cyclopropyl-1-methoxy-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105272874
[3-(2-chloro-3-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272648
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
[2-(4-bromophenyl)-1-(3,5-dimethylcyclohexyl)ethyl]hydrazine
CID 105195626
[1-cyclohexyl-3-(furan-2-yl)-1-methoxypropan-2-yl]hydrazine
CID 105278680

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine?
The IUPAC name of [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine (CID 105272881) is [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine.
What is the SMILES notation for [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine?
The canonical SMILES for [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine is COC(C1CC1)C(Cc1ccc(Br)cc1)NN.
What is the InChIKey of [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine?
The InChIKey is VWOWJZWJRIWUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-13(10-4-5-10)12(16-15)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,12-13,16H,4-5,8,15H2,1H3.
What are the key properties of [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine?
[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine has a molecular weight of 299.21 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105272881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).