N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine

C12H16N2O2 — CID 66188232

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
SMILESCN(Cc1ccc2c(c1)OCO2)C1CNC1
InChIInChI=1S/C12H16N2O2/c1-14(10-5-13-6-10)7-9-2-3-11-12(4-9)16-8-15-11/h2-4,10,13H,5-8H2,1H3
InChIKeyOFSIMYNQBHSGPS-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.82
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine (PubChem CID 66188232) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
PubChem CID66188232
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
SMILESCN(Cc1ccc2c(c1)OCO2)C1CNC1
InChIInChI=1S/C12H16N2O2/c1-14(10-5-13-6-10)7-9-2-3-11-12(4-9)16-8-15-11/h2-4,10,13H,5-8H2,1H3
InChIKeyOFSIMYNQBHSGPS-UHFFFAOYSA-N
XLogP0.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methylazetidin-3-amine
CID 117040773
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-en-1-amine
CID 53412236
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)azetidine
CID 66288477
1-(4-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpyrrolidin-3-amine
CID 142814921
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
CID 130431885
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine (CID 66188232) is N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine is CN(Cc1ccc2c(c1)OCO2)C1CNC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine?
The InChIKey is OFSIMYNQBHSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(10-5-13-6-10)7-9-2-3-11-12(4-9)16-8-15-11/h2-4,10,13H,5-8H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine has a molecular weight of 220.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 66188232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).