(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine

C21H26N2O2 — CID 71062646

IUPAC(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1
InChIKeyZKTUDHGKQCWRDH-FQEVSTJZSA-N
MW338.45 g/mol
LogP2.83
Rot. Bonds6

About (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine

(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine (PubChem CID 71062646) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine
PubChem CID71062646
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1
InChIKeyZKTUDHGKQCWRDH-FQEVSTJZSA-N
XLogP2.83
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine (CID 71062646) is (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine is c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1.
What is the InChIKey of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine?
The InChIKey is ZKTUDHGKQCWRDH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1.
What are the key properties of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine has a molecular weight of 338.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 71062646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).