4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline

C12H14BrN3O — CID 105263473

IUPAC4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1ccoc1)c1cc(Br)ccc1N
InChIInChI=1S/C12H14BrN3O/c13-9-1-2-11(14)10(6-9)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,14-15H2
InChIKeyWPSGGFKJKMHTCV-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.37
Rot. Bonds4

About 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline

4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline (PubChem CID 105263473) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
PubChem CID105263473
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1ccoc1)c1cc(Br)ccc1N
InChIInChI=1S/C12H14BrN3O/c13-9-1-2-11(14)10(6-9)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,14-15H2
InChIKeyWPSGGFKJKMHTCV-UHFFFAOYSA-N
XLogP2.37
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline
CID 105263506
[1-(5-bromo-3-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105251116
[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331717
[1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331708
[1-(2-chlorofuran-3-yl)-2-(furan-3-yl)ethyl]hydrazine
CID 106694685
N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029882
[1-(3,4-dimethylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331703
[1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331795
[2-(3-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105202855
4-bromo-2-[2-(5-ethyl-2-pyridinyl)-1-hydrazinylethyl]aniline
CID 105263426
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
CID 105377915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline?
The IUPAC name of 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline (CID 105263473) is 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline is NNC(Cc1ccoc1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline?
The InChIKey is WPSGGFKJKMHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-9-1-2-11(14)10(6-9)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,14-15H2.
What are the key properties of 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline?
4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline has a molecular weight of 296.17 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 105263473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).