5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole

C15H22N2O — CID 115076003

IUPAC5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole
SMILESCC(C)N1CC(COc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O/c1-11(2)17-8-12(9-17)10-18-15-4-3-13-6-16-7-14(13)5-15/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeyFQCLJKBVLIJXMI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds4

About 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole

5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole (PubChem CID 115076003) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole
PubChem CID115076003
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole
SMILESCC(C)N1CC(COc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O/c1-11(2)17-8-12(9-17)10-18-15-4-3-13-6-16-7-14(13)5-15/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeyFQCLJKBVLIJXMI-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
CID 155039113
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
CID 68823048
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole (CID 115076003) is 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole is CC(C)N1CC(COc2ccc3c(c2)CNC3)C1.
What is the InChIKey of 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole?
The InChIKey is FQCLJKBVLIJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)17-8-12(9-17)10-18-15-4-3-13-6-16-7-14(13)5-15/h3-5,11-12,16H,6-10H2,1-2H3.
What are the key properties of 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole?
5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole has a molecular weight of 246.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115076003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).