(2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine

C20H22N2O2 — CID 127032084

IUPAC(2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3cccc4cc[nH]c34)CCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-7-18(8-3-1)24-15-19-14-22(11-12-23-19)13-17-6-4-5-16-9-10-21-20(16)17/h1-10,19,21H,11-15H2/t19-/m0/s1
InChIKeyKYLZEUHDDYGYBU-IBGZPJMESA-N
MW322.41 g/mol
LogP3.45
Rot. Bonds5

About (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine

(2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine (PubChem CID 127032084) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine
PubChem CID127032084
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3cccc4cc[nH]c34)CCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-7-18(8-3-1)24-15-19-14-22(11-12-23-19)13-17-6-4-5-16-9-10-21-20(16)17/h1-10,19,21H,11-15H2/t19-/m0/s1
InChIKeyKYLZEUHDDYGYBU-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-7-ylmethyl)-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine (CID 127032084) is (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine is c1ccc(OC[C@@H]2CN(Cc3cccc4cc[nH]c34)CCO2)cc1.
What is the InChIKey of (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine?
The InChIKey is KYLZEUHDDYGYBU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-7-18(8-3-1)24-15-19-14-22(11-12-23-19)13-17-6-4-5-16-9-10-21-20(16)17/h1-10,19,21H,11-15H2/t19-/m0/s1.
What are the key properties of (2S)-4-(1H-indol-7-ylmethyl)-2-(phenoxymethyl)morpholine?
(2S)-4-(1H-indol-7-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-7-ylmethyl)-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127032084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).