2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine

C14H18N2O2 — CID 82622747

IUPAC2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine
SMILESCOc1ccc2c(C3CNCCO3)c(C)[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-9-14(13-8-15-5-6-18-13)11-4-3-10(17-2)7-12(11)16-9/h3-4,7,13,15-16H,5-6,8H2,1-2H3
InChIKeyAITHAZQBTYWKLL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds2

About 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine

2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine (PubChem CID 82622747) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine.

Molecular Properties

Compound Name2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine
PubChem CID82622747
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine
SMILESCOc1ccc2c(C3CNCCO3)c(C)[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-9-14(13-8-15-5-6-18-13)11-4-3-10(17-2)7-12(11)16-9/h3-4,7,13,15-16H,5-6,8H2,1-2H3
InChIKeyAITHAZQBTYWKLL-UHFFFAOYSA-N
XLogP2.15
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine?
The IUPAC name of 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine (CID 82622747) is 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine.
What is the SMILES notation for 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine?
The canonical SMILES for 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine is COc1ccc2c(C3CNCCO3)c(C)[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine?
The InChIKey is AITHAZQBTYWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-14(13-8-15-5-6-18-13)11-4-3-10(17-2)7-12(11)16-9/h3-4,7,13,15-16H,5-6,8H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine?
2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine has a molecular weight of 246.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine is sourced from PubChem (CID 82622747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).