4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine

C15H22N2O — CID 18524

IUPAC4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
SMILESc1ccc2c(c1)CN(CCCN1CCOCC1)C2
InChIInChI=1S/C15H22N2O/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16/h1-2,4-5H,3,6-13H2
InChIKeyUSNNBKXIDYBFJT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.72
Rot. Bonds4

About 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine

4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine (PubChem CID 18524) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
PubChem CID18524
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
SMILESc1ccc2c(c1)CN(CCCN1CCOCC1)C2
InChIInChI=1S/C15H22N2O/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16/h1-2,4-5H,3,6-13H2
InChIKeyUSNNBKXIDYBFJT-UHFFFAOYSA-N
XLogP1.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine (CID 18524) is 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine is c1ccc2c(c1)CN(CCCN1CCOCC1)C2.
What is the InChIKey of 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine?
The InChIKey is USNNBKXIDYBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16/h1-2,4-5H,3,6-13H2.
What are the key properties of 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine?
4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine has a molecular weight of 246.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine is sourced from PubChem (CID 18524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).