N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine

C9H10NO3- — CID 163777810

IUPACN-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN([O-])c1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10NO3/c1-10(11)7-2-3-8-9(6-7)13-5-4-12-8/h2-3,6H,4-5H2,1H3/q-1
InChIKeyLCUKGVXTJFVVEN-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.39
Rot. Bonds1

About N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine

N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 163777810) has the molecular formula C9H10NO3- and a molecular weight of 180.18 g/mol. Its IUPAC name is N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID163777810
Molecular FormulaC9H10NO3-
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC NameN-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN([O-])c1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10NO3/c1-10(11)7-2-3-8-9(6-7)13-5-4-12-8/h2-3,6H,4-5H2,1H3/q-1
InChIKeyLCUKGVXTJFVVEN-UHFFFAOYSA-N
XLogP1.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110752869
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
CID 115161388
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131746
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115232740
2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 167812638
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide
CID 110752878
2,3-dihydro-1,4-benzodioxin-6-yl(trimethyl)silane
CID 130535838

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine (CID 163777810) is N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine is CN([O-])c1ccc2c(c1)OCCO2.
What is the InChIKey of N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is LCUKGVXTJFVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO3/c1-10(11)7-2-3-8-9(6-7)13-5-4-12-8/h2-3,6H,4-5H2,1H3/q-1.
What are the key properties of N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine?
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 180.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 163777810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).