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

C21H24N2O — CID 19964401

IUPAC4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1
InChIInChI=1S/C21H24N2O/c1-2-6-17(7-3-1)10-11-19-16-23(12-13-24-19)15-18-14-22-21-9-5-4-8-20(18)21/h1-9,14,19,22H,10-13,15-16H2
InChIKeyJNSNEWFLCREWMB-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.00
Rot. Bonds5

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

4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine (PubChem CID 19964401) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine
PubChem CID19964401
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1
InChIInChI=1S/C21H24N2O/c1-2-6-17(7-3-1)10-11-19-16-23(12-13-24-19)15-18-14-22-21-9-5-4-8-20(18)21/h1-9,14,19,22H,10-13,15-16H2
InChIKeyJNSNEWFLCREWMB-UHFFFAOYSA-N
XLogP4.00
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine (CID 19964401) is 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine is c1ccc(CCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine?
The InChIKey is JNSNEWFLCREWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-6-17(7-3-1)10-11-19-16-23(12-13-24-19)15-18-14-22-21-9-5-4-8-20(18)21/h1-9,14,19,22H,10-13,15-16H2.
What are the key properties of 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine?
4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine has a molecular weight of 320.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 19964401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).