(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine

C17H28N2O3 — CID 153357451

IUPAC(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine
SMILESCN1CCCC1.CNC[C@H](OC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO3.C5H11N/c1-13-8-12(14-2)9-3-4-10-11(7-9)16-6-5-15-10;1-6-4-2-3-5-6/h3-4,7,12-13H,5-6,8H2,1-2H3;2-5H2,1H3/t12-;/m0./s1
InChIKeyWNAJDVCIABEKIA-YDALLXLXSA-N
MW308.42 g/mol
LogP2.08
Rot. Bonds4

About (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine (PubChem CID 153357451) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine
PubChem CID153357451
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine
SMILESCN1CCCC1.CNC[C@H](OC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO3.C5H11N/c1-13-8-12(14-2)9-3-4-10-11(7-9)16-6-5-15-10;1-6-4-2-3-5-6/h3-4,7,12-13H,5-6,8H2,1-2H3;2-5H2,1H3/t12-;/m0./s1
InChIKeyWNAJDVCIABEKIA-YDALLXLXSA-N
XLogP2.08
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine with MolForge

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Related Compounds

[2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl] N-methylcarbamate;1-methylpyrrolidine
CID 153357445
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
CID 651898
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylpropan-1-amine
CID 79617292
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol
CID 102028593
(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
CID 93341356
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 16641482
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-3-pyrrolidin-1-ylpropan-2-yl]octan-1-amine
CID 91152177
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
CID 62860778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine?
The IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine (CID 153357451) is (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine?
The canonical SMILES for (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine is CN1CCCC1.CNC[C@H](OC)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine?
The InChIKey is WNAJDVCIABEKIA-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17NO3.C5H11N/c1-13-8-12(14-2)9-3-4-10-11(7-9)16-6-5-15-10;1-6-4-2-3-5-6/h3-4,7,12-13H,5-6,8H2,1-2H3;2-5H2,1H3/t12-;/m0./s1.
What are the key properties of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine?
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine has a molecular weight of 308.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine is sourced from PubChem (CID 153357451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).