4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline

C15H16BrN3O — CID 105263658

IUPAC4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1cccc2c1OCC2
InChIInChI=1S/C15H16BrN3O/c16-10-4-5-13(17)12(8-10)14(19-18)11-3-1-2-9-6-7-20-15(9)11/h1-5,8,14,19H,6-7,17-18H2
InChIKeyNXEMVTOHBXBOQD-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.52
Rot. Bonds3

About 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline

4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline (PubChem CID 105263658) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
PubChem CID105263658
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1cccc2c1OCC2
InChIInChI=1S/C15H16BrN3O/c16-10-4-5-13(17)12(8-10)14(19-18)11-3-1-2-9-6-7-20-15(9)11/h1-5,8,14,19H,6-7,17-18H2
InChIKeyNXEMVTOHBXBOQD-UHFFFAOYSA-N
XLogP2.52
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.52
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-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105281085
[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341826
[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105222676
[(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105238803
[(5-bromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341897
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222
[2,3-dihydro-1-benzofuran-7-yl(furan-3-yl)methyl]hydrazine
CID 105221476
[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]hydrazine
CID 105196662
[2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204228
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 107948543

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline?
The IUPAC name of 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline (CID 105263658) is 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline is NNC(c1cc(Br)ccc1N)c1cccc2c1OCC2.
What is the InChIKey of 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline?
The InChIKey is NXEMVTOHBXBOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-10-4-5-13(17)12(8-10)14(19-18)11-3-1-2-9-6-7-20-15(9)11/h1-5,8,14,19H,6-7,17-18H2.
What are the key properties of 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline?
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline has a molecular weight of 334.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline is sourced from PubChem (CID 105263658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).