2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine

C15H22N2O — CID 10800458

IUPAC2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCCn1cc(CCN(C)C)c2cc(OC)ccc21
InChIInChI=1S/C15H22N2O/c1-5-17-11-12(8-9-16(2)3)14-10-13(18-4)6-7-15(14)17/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyNROYJCARPGQFQY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.77
Rot. Bonds5

About 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine

2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine (PubChem CID 10800458) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine
PubChem CID10800458
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCCn1cc(CCN(C)C)c2cc(OC)ccc21
InChIInChI=1S/C15H22N2O/c1-5-17-11-12(8-9-16(2)3)14-10-13(18-4)6-7-15(14)17/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyNROYJCARPGQFQY-UHFFFAOYSA-N
XLogP2.77
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine (CID 10800458) is 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine is CCn1cc(CCN(C)C)c2cc(OC)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is NROYJCARPGQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-17-11-12(8-9-16(2)3)14-10-13(18-4)6-7-15(14)17/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine?
2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methoxyindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 10800458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).