[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine

C13H15BrN2O — CID 105331717

IUPAC[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine
SMILESCc1cc(Br)cc(C(Cc2ccoc2)NN)c1
InChIInChI=1S/C13H15BrN2O/c1-9-4-11(7-12(14)5-9)13(16-15)6-10-2-3-17-8-10/h2-5,7-8,13,16H,6,15H2,1H3
InChIKeyKKWPECRWQQPBGE-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.10
Rot. Bonds4

About [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine

[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine (PubChem CID 105331717) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine
PubChem CID105331717
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine
SMILESCc1cc(Br)cc(C(Cc2ccoc2)NN)c1
InChIInChI=1S/C13H15BrN2O/c1-9-4-11(7-12(14)5-9)13(16-15)6-10-2-3-17-8-10/h2-5,7-8,13,16H,6,15H2,1H3
InChIKeyKKWPECRWQQPBGE-UHFFFAOYSA-N
XLogP3.10
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.10
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-(5-bromo-3-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105251116
[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 107504852
[1-(3,5-dibromophenyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 107978906
[1-(3,4-dimethylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331703
[1-(3-bromo-5-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333652
[1-(3-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105309802
4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
CID 105263473
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
[2-(3-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105202855
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
1-(3-bromo-5-methylphenyl)pentylhydrazine
CID 105293715

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine (CID 105331717) is [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine is Cc1cc(Br)cc(C(Cc2ccoc2)NN)c1.
What is the InChIKey of [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine?
The InChIKey is KKWPECRWQQPBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-4-11(7-12(14)5-9)13(16-15)6-10-2-3-17-8-10/h2-5,7-8,13,16H,6,15H2,1H3.
What are the key properties of [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine?
[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine has a molecular weight of 295.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105331717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).