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

C12H17BrN2O — CID 105311172

IUPAC[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
SMILESCOc1cc(Br)ccc1C(CC1CC1)NN
InChIInChI=1S/C12H17BrN2O/c1-16-12-7-9(13)4-5-10(12)11(15-14)6-8-2-3-8/h4-5,7-8,11,15H,2-3,6,14H2,1H3
InChIKeyZTYBMEAKBVESJW-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.76
Rot. Bonds5

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

[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine (PubChem CID 105311172) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
PubChem CID105311172
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
SMILESCOc1cc(Br)ccc1C(CC1CC1)NN
InChIInChI=1S/C12H17BrN2O/c1-16-12-7-9(13)4-5-10(12)11(15-14)6-8-2-3-8/h4-5,7-8,11,15H,2-3,6,14H2,1H3
InChIKeyZTYBMEAKBVESJW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine (CID 105311172) is [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine is COc1cc(Br)ccc1C(CC1CC1)NN.
What is the InChIKey of [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine?
The InChIKey is ZTYBMEAKBVESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-12-7-9(13)4-5-10(12)11(15-14)6-8-2-3-8/h4-5,7-8,11,15H,2-3,6,14H2,1H3.
What are the key properties of [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine?
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine has a molecular weight of 285.19 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine is sourced from PubChem (CID 105311172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).