N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine

C12H16N2O2 — CID 117040529

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
SMILESCN(c1ccc2c(c1)OCCO2)C1CNC1
InChIInChI=1S/C12H16N2O2/c1-14(10-7-13-8-10)9-2-3-11-12(6-9)16-5-4-15-11/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyMZYNQAWSBZUTPY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.87
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine (PubChem CID 117040529) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
PubChem CID117040529
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
SMILESCN(c1ccc2c(c1)OCCO2)C1CNC1
InChIInChI=1S/C12H16N2O2/c1-14(10-7-13-8-10)9-2-3-11-12(6-9)16-5-4-15-11/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyMZYNQAWSBZUTPY-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methylazetidin-3-amine
CID 117040773
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
CID 117040535
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine
CID 63297147
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine (CID 117040529) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine is CN(c1ccc2c(c1)OCCO2)C1CNC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine?
The InChIKey is MZYNQAWSBZUTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(10-7-13-8-10)9-2-3-11-12(6-9)16-5-4-15-11/h2-3,6,10,13H,4-5,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine has a molecular weight of 220.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117040529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).