N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C15H22N2O2 — CID 106613861

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(CC1CCCN1)CC1COc2ccccc2O1
InChIInChI=1S/C15H22N2O2/c1-17(9-12-5-4-8-16-12)10-13-11-18-14-6-2-3-7-15(14)19-13/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3
InChIKeyDZRSRPRUKUJZDU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.51
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 106613861) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID106613861
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(CC1CCCN1)CC1COc2ccccc2O1
InChIInChI=1S/C15H22N2O2/c1-17(9-12-5-4-8-16-12)10-13-11-18-14-6-2-3-7-15(14)19-13/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3
InChIKeyDZRSRPRUKUJZDU-UHFFFAOYSA-N
XLogP1.51
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-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

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
CID 23618084
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
CID 43607109
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291108
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291099
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 3064428
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154891653
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 106613861) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CN(CC1CCCN1)CC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is DZRSRPRUKUJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(9-12-5-4-8-16-12)10-13-11-18-14-6-2-3-7-15(14)19-13/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 106613861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).