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

C14H20N2O2 — CID 68690965

IUPAC2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine
SMILESCNC(Cc1ccc2c(c1)OCO2)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-15-12(11-4-5-16-8-11)6-10-2-3-13-14(7-10)18-9-17-13/h2-3,7,11-12,15-16H,4-6,8-9H2,1H3
InChIKeyCAZFPBPKBAABJL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.16
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine (PubChem CID 68690965) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine
PubChem CID68690965
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine
SMILESCNC(Cc1ccc2c(c1)OCO2)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-15-12(11-4-5-16-8-11)6-10-2-3-13-14(7-10)18-9-17-13/h2-3,7,11-12,15-16H,4-6,8-9H2,1H3
InChIKeyCAZFPBPKBAABJL-UHFFFAOYSA-N
XLogP1.16
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-1-cyclohex-3-en-1-yl-N-methylethanamine
CID 168896110
2-(1,3-benzodioxol-5-yl)-1-(3,3-difluorocyclobutyl)-N-methylethanamine
CID 168896187
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
2-(1,3-benzodioxol-5-yl)-1-cyclopropyl-N-[(1R)-1-phenylethyl]ethanamine
CID 168896172
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
3-(1,3-benzodioxol-5-yl)-1,1,1,2-tetradeuterio-N-methylpropan-2-amine
CID 59668159
2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70722564
N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-ylethyl]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]oxyacetamide
CID 22257893
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866
2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 116677298
2-(1,3-benzodioxol-5-yl)-1-(1-bicyclo[2.1.0]pentanyl)-N-methylethanamine
CID 168896033

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine (CID 68690965) is 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine is CNC(Cc1ccc2c(c1)OCO2)C1CCNC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine?
The InChIKey is CAZFPBPKBAABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-12(11-4-5-16-8-11)6-10-2-3-13-14(7-10)18-9-17-13/h2-3,7,11-12,15-16H,4-6,8-9H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine?
2-(1,3-benzodioxol-5-yl)-N-methyl-1-pyrrolidin-3-ylethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 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-1-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 68690965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).