O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine

C10H13NO3 — CID 117285083

IUPACO-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
SMILESCc1ccc2c(c1CCON)OCO2
InChIInChI=1S/C10H13NO3/c1-7-2-3-9-10(13-6-12-9)8(7)4-5-14-11/h2-3H,4-6,11H2,1H3
InChIKeyRJSXZRRMIOODII-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.16
Rot. Bonds3

About O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine

O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine (PubChem CID 117285083) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
PubChem CID117285083
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameO-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
SMILESCc1ccc2c(c1CCON)OCO2
InChIInChI=1S/C10H13NO3/c1-7-2-3-9-10(13-6-12-9)8(7)4-5-14-11/h2-3H,4-6,11H2,1H3
InChIKeyRJSXZRRMIOODII-UHFFFAOYSA-N
XLogP1.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117329917
4,5-dimethyl-1,3-benzodioxole
CID 12958464
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
O-[(7-methyl-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117278597
O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
CID 117326465
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117464906
3-(5-methyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117296343
1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 22214795
1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine
CID 117298689
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine (CID 117285083) is O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine is Cc1ccc2c(c1CCON)OCO2.
What is the InChIKey of O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
The InChIKey is RJSXZRRMIOODII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-2-3-9-10(13-6-12-9)8(7)4-5-14-11/h2-3H,4-6,11H2,1H3.
What are the key properties of O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine has a molecular weight of 195.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117285083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).