N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine

C11H15NO2 — CID 82684913

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCC1(C)Cc2cc(CNO)ccc2O1
InChIInChI=1S/C11H15NO2/c1-11(2)6-9-5-8(7-12-13)3-4-10(9)14-11/h3-5,12-13H,6-7H2,1-2H3
InChIKeyZBKPCMAQOOEOCE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.88
Rot. Bonds2

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine (PubChem CID 82684913) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
PubChem CID82684913
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCC1(C)Cc2cc(CNO)ccc2O1
InChIInChI=1S/C11H15NO2/c1-11(2)6-9-5-8(7-12-13)3-4-10(9)14-11/h3-5,12-13H,6-7H2,1-2H3
InChIKeyZBKPCMAQOOEOCE-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
CID 55168156
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
CID 169385560
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-yn-2-amine
CID 114415329
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-en-2-amine
CID 113254593

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine (CID 82684913) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine is CC1(C)Cc2cc(CNO)ccc2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine?
The InChIKey is ZBKPCMAQOOEOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)6-9-5-8(7-12-13)3-4-10(9)14-11/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 82684913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).