[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine

C13H21BrN2O — CID 105298627

IUPAC[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-4-9(2)7-12(16-15)10-5-6-13(17-3)11(14)8-10/h5-6,8-9,12,16H,4,7,15H2,1-3H3
InChIKeyCEGTZEFMEMWNHR-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.40
Rot. Bonds6

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

[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine (PubChem CID 105298627) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
PubChem CID105298627
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-4-9(2)7-12(16-15)10-5-6-13(17-3)11(14)8-10/h5-6,8-9,12,16H,4,7,15H2,1-3H3
InChIKeyCEGTZEFMEMWNHR-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.40
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-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
[1-(3-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298243
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985195
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
CID 63436190
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288951
[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
CID 105298115
[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340895

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine (CID 105298627) is [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine is CCC(C)CC(NN)c1ccc(OC)c(Br)c1.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine?
The InChIKey is CEGTZEFMEMWNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-9(2)7-12(16-15)10-5-6-13(17-3)11(14)8-10/h5-6,8-9,12,16H,4,7,15H2,1-3H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine has a molecular weight of 301.23 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine is sourced from PubChem (CID 105298627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).