N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine

C11H15NO4 — CID 117323156

IUPACN-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
SMILESCOCc1ccc(CNO)c2c1OCCO2
InChIInChI=1S/C11H15NO4/c1-14-7-9-3-2-8(6-12-13)10-11(9)16-5-4-15-10/h2-3,12-13H,4-7H2,1H3
InChIKeyGPCVPAOBRSNSJP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.08
Rot. Bonds4

About N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine

N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine (PubChem CID 117323156) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
PubChem CID117323156
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
SMILESCOCc1ccc(CNO)c2c1OCCO2
InChIInChI=1S/C11H15NO4/c1-14-7-9-3-2-8(6-12-13)10-11(9)16-5-4-15-10/h2-3,12-13H,4-7H2,1H3
InChIKeyGPCVPAOBRSNSJP-UHFFFAOYSA-N
XLogP1.08
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethoxybenzylamine
CID 78106
(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanamine
CID 2794995
2,3-Dihydro-1,4-benzodioxin-6-methylamine
CID 87102
8-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine
CID 16244405
8-Methoxy-3,3-dimethyl-2,4-dihydrochromen-4-amine
CID 168282735
(2,3-Dihydro-1,4-benzodioxin-5-yl)methanamine hydrochloride
CID 2795039
2-(2,3-Dihydro-1,4-benzodioxin-5-yl)ethan-1-amine
CID 21843623
[2-(Cyclopentyloxy)-3-methoxyphenyl]methanamine
CID 43471488
8-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 47003123
3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylazanium
CID 7018019
(2-Ethoxy-3-methoxybenzyl)amine
CID 7139472
(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)methanamine
CID 2795040

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine?
The IUPAC name of N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine (CID 117323156) is N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine is COCc1ccc(CNO)c2c1OCCO2.
What is the InChIKey of N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine?
The InChIKey is GPCVPAOBRSNSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-7-9-3-2-8(6-12-13)10-11(9)16-5-4-15-10/h2-3,12-13H,4-7H2,1H3.
What are the key properties of N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine?
N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine has a molecular weight of 225.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine is sourced from PubChem (CID 117323156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).