4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine

C20H22N2O2 — CID 19964410

IUPAC4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-6-17(7-3-1)24-15-18-14-22(10-11-23-18)13-16-12-21-20-9-5-4-8-19(16)20/h1-9,12,18,21H,10-11,13-15H2
InChIKeyHVYFBECSQURUQP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.45
Rot. Bonds5

About 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine

4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine (PubChem CID 19964410) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine
PubChem CID19964410
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-6-17(7-3-1)24-15-18-14-22(10-11-23-18)13-16-12-21-20-9-5-4-8-19(16)20/h1-9,12,18,21H,10-11,13-15H2
InChIKeyHVYFBECSQURUQP-UHFFFAOYSA-N
XLogP3.45
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
The IUPAC name of 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine (CID 19964410) is 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine is c1ccc(OCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
The InChIKey is HVYFBECSQURUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-6-17(7-3-1)24-15-18-14-22(10-11-23-18)13-16-12-21-20-9-5-4-8-19(16)20/h1-9,12,18,21H,10-11,13-15H2.
What are the key properties of 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine?
4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 19964410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).