2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole

C13H18N2 — CID 116679908

IUPAC2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole
SMILESc1ccc2c(c1)CN(CCC1CNC1)C2
InChIInChI=1S/C13H18N2/c1-2-4-13-10-15(9-12(13)3-1)6-5-11-7-14-8-11/h1-4,11,14H,5-10H2
InChIKeyHTDHXSFMEUSEDP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.61
Rot. Bonds3

About 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole

2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole (PubChem CID 116679908) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole
PubChem CID116679908
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole
SMILESc1ccc2c(c1)CN(CCC1CNC1)C2
InChIInChI=1S/C13H18N2/c1-2-4-13-10-15(9-12(13)3-1)6-5-11-7-14-8-11/h1-4,11,14H,5-10H2
InChIKeyHTDHXSFMEUSEDP-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-1,3-dihydroisoindole;ethane
CID 91078285
2-[2-(1,3-dioxan-2-yl)ethyl]-1,3-dihydroisoindole
CID 66474126
1-[2-(azetidin-3-yl)ethyl]azetidin-3-ol
CID 126580737
1-[2-(azetidin-3-yl)ethylsulfonyl]-2,3-dihydroindole
CID 115049579
1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one
CID 70500307
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one
CID 107391275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole (CID 116679908) is 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole is c1ccc2c(c1)CN(CCC1CNC1)C2.
What is the InChIKey of 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole?
The InChIKey is HTDHXSFMEUSEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-13-10-15(9-12(13)3-1)6-5-11-7-14-8-11/h1-4,11,14H,5-10H2.
What are the key properties of 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole?
2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole has a molecular weight of 202.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole is sourced from PubChem (CID 116679908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).