2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H22N2O2 — CID 115208449

IUPAC2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCN(CCc1ccc2c(c1)OCO2)CC1CCCN1
InChIInChI=1S/C15H22N2O2/c1-17(10-13-3-2-7-16-13)8-6-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13,16H,2-3,6-8,10-11H2,1H3
InChIKeyWRPDGJFXGAKOED-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.64
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 115208449) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID115208449
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCN(CCc1ccc2c(c1)OCO2)CC1CCCN1
InChIInChI=1S/C15H22N2O2/c1-17(10-13-3-2-7-16-13)8-6-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13,16H,2-3,6-8,10-11H2,1H3
InChIKeyWRPDGJFXGAKOED-UHFFFAOYSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
2-(1,3-benzodioxol-5-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115258994
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
N-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 106635742
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
2-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]acetonitrile
CID 115131336
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methylazetidin-3-amine
CID 117040773
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211
(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10545056

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 115208449) is 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CN(CCc1ccc2c(c1)OCO2)CC1CCCN1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is WRPDGJFXGAKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(10-13-3-2-7-16-13)8-6-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115208449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).