4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole

C12H16N2O — CID 115075810

IUPAC4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
SMILESc1cc2c(c(OCC3CNC3)c1)CNC2
InChIInChI=1S/C12H16N2O/c1-2-10-6-14-7-11(10)12(3-1)15-8-9-4-13-5-9/h1-3,9,13-14H,4-8H2
InChIKeyDQJUVHMETDRQGC-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.89
Rot. Bonds3

About 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole

4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole (PubChem CID 115075810) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
PubChem CID115075810
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
SMILESc1cc2c(c(OCC3CNC3)c1)CNC2
InChIInChI=1S/C12H16N2O/c1-2-10-6-14-7-11(10)12(3-1)15-8-9-4-13-5-9/h1-3,9,13-14H,4-8H2
InChIKeyDQJUVHMETDRQGC-UHFFFAOYSA-N
XLogP0.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thian-4-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075868
8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076665
4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115075898
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076184
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076793
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
8-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076783
8-(thian-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076813
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole (CID 115075810) is 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole is c1cc2c(c(OCC3CNC3)c1)CNC2.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole?
The InChIKey is DQJUVHMETDRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10-6-14-7-11(10)12(3-1)15-8-9-4-13-5-9/h1-3,9,13-14H,4-8H2.
What are the key properties of 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole?
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole has a molecular weight of 204.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).