N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine

C15H22N2O2 — CID 63297147

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1ccc2c(c1)OCCO2)N(C)C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-11(17(2)13-5-6-16-10-13)12-3-4-14-15(9-12)19-8-7-18-14/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyYIQGXAWDXGSTOR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 63297147) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID63297147
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1ccc2c(c1)OCCO2)N(C)C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-11(17(2)13-5-6-16-10-13)12-3-4-14-15(9-12)19-8-7-18-14/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyYIQGXAWDXGSTOR-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine 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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylazepan-4-amine
CID 107172067
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299369
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56716563
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119691916
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
CID 119742450
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-amine
CID 115118743
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine (CID 63297147) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine is CC(c1ccc2c(c1)OCCO2)N(C)C1CCNC1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is YIQGXAWDXGSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(17(2)13-5-6-16-10-13)12-3-4-14-15(9-12)19-8-7-18-14/h3-4,9,11,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 262.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63297147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).