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

C21H25FN2O2 — CID 71061611

IUPAC(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine
SMILESFc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1
InChIInChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1
InChIKeyRTXIZQIIOLWLRO-FQEVSTJZSA-N
MW356.44 g/mol
LogP2.97
Rot. Bonds6

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

(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine (PubChem CID 71061611) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine
PubChem CID71061611
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine
SMILESFc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1
InChIInChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1
InChIKeyRTXIZQIIOLWLRO-FQEVSTJZSA-N
XLogP2.97
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.97
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-[(4-fluorophenoxy)methyl]morpholine?
The IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine (CID 71061611) is (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine.
What is the SMILES notation for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine?
The canonical SMILES for (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine is Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1.
What is the InChIKey of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine?
The InChIKey is RTXIZQIIOLWLRO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1.
What are the key properties of (2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine?
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine has a molecular weight of 356.44 g/mol, XLogP of 2.97, 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-[(4-fluorophenoxy)methyl]morpholine is sourced from PubChem (CID 71061611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).