4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline

C11H11Br2N3O — CID 105263648

IUPAC4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1occc1Br
InChIInChI=1S/C11H11Br2N3O/c12-6-1-2-9(14)7(5-6)10(16-15)11-8(13)3-4-17-11/h1-5,10,16H,14-15H2
InChIKeyWDMLKNPOYLWTRA-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline

4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline (PubChem CID 105263648) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
PubChem CID105263648
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1occc1Br
InChIInChI=1S/C11H11Br2N3O/c12-6-1-2-9(14)7(5-6)10(16-15)11-8(13)3-4-17-11/h1-5,10,16H,14-15H2
InChIKeyWDMLKNPOYLWTRA-UHFFFAOYSA-N
XLogP2.94
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.94
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

[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105309112
[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine
CID 106859943
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
CID 114894776
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504907
4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
CID 105263516
4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105263567
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline
CID 107130871
4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
CID 105263473
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
CID 105263658

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline (CID 105263648) is 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline is NNC(c1cc(Br)ccc1N)c1occc1Br.
What is the InChIKey of 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline?
The InChIKey is WDMLKNPOYLWTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c12-6-1-2-9(14)7(5-6)10(16-15)11-8(13)3-4-17-11/h1-5,10,16H,14-15H2.
What are the key properties of 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline?
4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline has a molecular weight of 361.04 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).