O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine

C11H15NO4 — CID 117323140

IUPACO-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
SMILESCOc1cc2c(cc1CCON)OCOC2
InChIInChI=1S/C11H15NO4/c1-13-10-5-9-6-14-7-15-11(9)4-8(10)2-3-16-12/h4-5H,2-3,6-7,12H2,1H3
InChIKeySULIMILJZRXWTK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.99
Rot. Bonds4

About O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine

O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine (PubChem CID 117323140) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
PubChem CID117323140
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameO-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
SMILESCOc1cc2c(cc1CCON)OCOC2
InChIInChI=1S/C11H15NO4/c1-13-10-5-9-6-14-7-15-11(9)4-8(10)2-3-16-12/h4-5H,2-3,6-7,12H2,1H3
InChIKeySULIMILJZRXWTK-UHFFFAOYSA-N
XLogP0.99
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol
CID 117321804
3-(6-methoxy-4H-1,3-benzodioxin-7-yl)-2-methylpropanoic acid
CID 117383604
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191
3-amino-3-(6-methoxy-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117385437
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117307236
3-amino-2-(6-methoxy-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117385454
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117403795
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
CID 170865622
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374

Frequently Asked Questions

What is the IUPAC name of O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine (CID 117323140) is O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine is COc1cc2c(cc1CCON)OCOC2.
What is the InChIKey of O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine?
The InChIKey is SULIMILJZRXWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-13-10-5-9-6-14-7-15-11(9)4-8(10)2-3-16-12/h4-5H,2-3,6-7,12H2,1H3.
What are the key properties of O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine?
O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine has a molecular weight of 225.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117323140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).