(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine

C20H25N3O2 — CID 71086389

IUPAC(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine
SMILESc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1
InChIInChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m1/s1
InChIKeyNVTIHTIPOLNIHA-LJQANCHMSA-N
MW339.44 g/mol
LogP2.22
Rot. Bonds6

About (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine

(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine (PubChem CID 71086389) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine
PubChem CID71086389
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine
SMILESc1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1
InChIInChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m1/s1
InChIKeyNVTIHTIPOLNIHA-LJQANCHMSA-N
XLogP2.22
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine?
The IUPAC name of (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine (CID 71086389) is (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine.
What is the SMILES notation for (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine?
The canonical SMILES for (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine is c1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1.
What is the InChIKey of (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine?
The InChIKey is NVTIHTIPOLNIHA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m1/s1.
What are the key properties of (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine?
(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine has a molecular weight of 339.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-3-yloxymethyl)morpholine is sourced from PubChem (CID 71086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).