(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine

C21H27N3O2 — CID 71062664

IUPAC(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
SMILESCc1ncccc1OC[C@@H]1CN(CCN2CCc3ccccc32)CCO1
InChIInChI=1S/C21H27N3O2/c1-17-21(7-4-9-22-17)26-16-19-15-23(13-14-25-19)11-12-24-10-8-18-5-2-3-6-20(18)24/h2-7,9,19H,8,10-16H2,1H3/t19-/m0/s1
InChIKeyDYMQPSSXRFHPQS-IBGZPJMESA-N
MW353.47 g/mol
LogP2.53
Rot. Bonds6

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

(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine (PubChem CID 71062664) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
PubChem CID71062664
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
SMILESCc1ncccc1OC[C@@H]1CN(CCN2CCc3ccccc32)CCO1
InChIInChI=1S/C21H27N3O2/c1-17-21(7-4-9-22-17)26-16-19-15-23(13-14-25-19)11-12-24-10-8-18-5-2-3-6-20(18)24/h2-7,9,19H,8,10-16H2,1H3/t19-/m0/s1
InChIKeyDYMQPSSXRFHPQS-IBGZPJMESA-N
XLogP2.53
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine?
The IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine (CID 71062664) is (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine.
What is the SMILES notation for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine?
The canonical SMILES for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine is Cc1ncccc1OC[C@@H]1CN(CCN2CCc3ccccc32)CCO1.
What is the InChIKey of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine?
The InChIKey is DYMQPSSXRFHPQS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-21(7-4-9-22-17)26-16-19-15-23(13-14-25-19)11-12-24-10-8-18-5-2-3-6-20(18)24/h2-7,9,19H,8,10-16H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine?
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine is sourced from PubChem (CID 71062664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).