1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine

C14H20N2O2 — CID 82296423

IUPAC1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(C)C(c1ccc2c(c1)OCO2)C1CCCN1
InChIInChI=1S/C14H20N2O2/c1-16(2)14(11-4-3-7-15-11)10-5-6-12-13(8-10)18-9-17-12/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
InChIKeyCSBFWIOWYQTQBF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine

1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 82296423) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
PubChem CID82296423
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(C)C(c1ccc2c(c1)OCO2)C1CCCN1
InChIInChI=1S/C14H20N2O2/c1-16(2)14(11-4-3-7-15-11)10-5-6-12-13(8-10)18-9-17-12/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
InChIKeyCSBFWIOWYQTQBF-UHFFFAOYSA-N
XLogP1.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine 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

1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82286973
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine
CID 116907290
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanamine
CID 82296425
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]pyrrolidine
CID 106640425
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
CID 116935656
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 106634988
1-(2,4-dimethylphenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82289931
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
CID 43704400

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine (CID 82296423) is 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine is CN(C)C(c1ccc2c(c1)OCO2)C1CCCN1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is CSBFWIOWYQTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)14(11-4-3-7-15-11)10-5-6-12-13(8-10)18-9-17-12/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 82296423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).