2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine

C15H21NO3 — CID 104688037

IUPAC2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine
SMILESCOc1cc(CC2(C)CCCN2)cc2c1OCCO2
InChIInChI=1S/C15H21NO3/c1-15(4-3-5-16-15)10-11-8-12(17-2)14-13(9-11)18-6-7-19-14/h8-9,16H,3-7,10H2,1-2H3
InChIKeyYHVRTJCYRBSSKB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds3

About 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine

2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine (PubChem CID 104688037) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine
PubChem CID104688037
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine
SMILESCOc1cc(CC2(C)CCCN2)cc2c1OCCO2
InChIInChI=1S/C15H21NO3/c1-15(4-3-5-16-15)10-11-8-12(17-2)14-13(9-11)18-6-7-19-14/h8-9,16H,3-7,10H2,1-2H3
InChIKeyYHVRTJCYRBSSKB-UHFFFAOYSA-N
XLogP2.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine 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-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 104688104
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 113441439
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117315797
2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine
CID 117456233
[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol
CID 115763038
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]but-2-yn-1-amine
CID 113342021
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 30610505
(2S)-2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 124575827
1-cyclobutyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 60790517
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604427

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine (CID 104688037) is 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine is COc1cc(CC2(C)CCCN2)cc2c1OCCO2.
What is the InChIKey of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine?
The InChIKey is YHVRTJCYRBSSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(4-3-5-16-15)10-11-8-12(17-2)14-13(9-11)18-6-7-19-14/h8-9,16H,3-7,10H2,1-2H3.
What are the key properties of 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine?
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine has a molecular weight of 263.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 104688037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).