(2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine

C20H22N2O2 — CID 127032383

IUPAC(2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-4-18(5-3-1)24-15-19-14-22(10-11-23-19)13-16-6-7-20-17(12-16)8-9-21-20/h1-9,12,19,21H,10-11,13-15H2/t19-/m0/s1
InChIKeyXHIUVRDSBNUEMG-IBGZPJMESA-N
MW322.41 g/mol
LogP3.45
Rot. Bonds5

About (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine

(2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine (PubChem CID 127032383) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine
PubChem CID127032383
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-4-18(5-3-1)24-15-19-14-22(10-11-23-19)13-16-6-7-20-17(12-16)8-9-21-20/h1-9,12,19,21H,10-11,13-15H2/t19-/m0/s1
InChIKeyXHIUVRDSBNUEMG-IBGZPJMESA-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 (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine (CID 127032383) is (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine is c1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1.
What is the InChIKey of (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine?
The InChIKey is XHIUVRDSBNUEMG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-4-18(5-3-1)24-15-19-14-22(10-11-23-19)13-16-6-7-20-17(12-16)8-9-21-20/h1-9,12,19,21H,10-11,13-15H2/t19-/m0/s1.
What are the key properties of (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine?
(2S)-4-(1H-indol-5-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 (2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127032383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).