2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C15H22N2O — CID 6918513

IUPAC2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCCc1[nH]c2ccc(OC)cc2c1CCN(C)C
InChIInChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyZEYRDXUWJDGTLD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 6918513) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID6918513
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCCc1[nH]c2ccc(OC)cc2c1CCN(C)C
InChIInChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyZEYRDXUWJDGTLD-UHFFFAOYSA-N
XLogP2.84
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 6918513) is 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is CCc1[nH]c2ccc(OC)cc2c1CCN(C)C.
What is the InChIKey of 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is ZEYRDXUWJDGTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 6918513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).