5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole

C15H22N2O2 — CID 103534857

IUPAC5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
SMILESCOC1CN(Cc2ccc3c(c2)CNC3)CC1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-3-4-12-6-16-7-13(12)5-11/h3-5,14-16H,6-10H2,1-2H3
InChIKeyMKQFZTMHKDAHGB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.14
Rot. Bonds4

About 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole

5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 103534857) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID103534857
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
SMILESCOC1CN(Cc2ccc3c(c2)CNC3)CC1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-3-4-12-6-16-7-13(12)5-11/h3-5,14-16H,6-10H2,1-2H3
InChIKeyMKQFZTMHKDAHGB-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole 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

7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 102963359
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534936
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 103998358
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
2-bromo-5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]aniline
CID 103531057
CID 159268606
CID 159268606
2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 103998278
[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 103537531
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
1-[(4-bromo-3-nitrophenyl)methyl]-3,4-dimethoxypyrrolidine
CID 103532659

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole (CID 103534857) is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole is COC1CN(Cc2ccc3c(c2)CNC3)CC1OC.
What is the InChIKey of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is MKQFZTMHKDAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-3-4-12-6-16-7-13(12)5-11/h3-5,14-16H,6-10H2,1-2H3.
What are the key properties of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole?
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 262.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 103534857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).