N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine

C11H14BrNO3 — CID 117464928

IUPACN-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(Br)c2c1OC(C)C2
InChIInChI=1S/C11H14BrNO3/c1-6-3-8-10(12)7(5-13-14)4-9(15-2)11(8)16-6/h4,6,13-14H,3,5H2,1-2H3
InChIKeyOZMNUILKMHLVJD-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.26
Rot. Bonds3

About N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine

N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine (PubChem CID 117464928) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
PubChem CID117464928
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(Br)c2c1OC(C)C2
InChIInChI=1S/C11H14BrNO3/c1-6-3-8-10(12)7(5-13-14)4-9(15-2)11(8)16-6/h4,6,13-14H,3,5H2,1-2H3
InChIKeyOZMNUILKMHLVJD-UHFFFAOYSA-N
XLogP2.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine
CID 117398306
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
CID 117376308
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 117450688
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine (CID 117464928) is N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine is COc1cc(CNO)c(Br)c2c1OC(C)C2.
What is the InChIKey of N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
The InChIKey is OZMNUILKMHLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-6-3-8-10(12)7(5-13-14)4-9(15-2)11(8)16-6/h4,6,13-14H,3,5H2,1-2H3.
What are the key properties of N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine has a molecular weight of 288.14 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117464928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).