2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

C19H22N2O2 — CID 2989597

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H22N2O2/c1-22-16-5-3-14(4-6-16)12-20-10-9-15-13-21-19-8-7-17(23-2)11-18(15)19/h3-8,11,13,20-21H,9-10,12H2,1-2H3
InChIKeyXOPDXWXKMSAABA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.52
Rot. Bonds7

About 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 2989597) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID2989597
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H22N2O2/c1-22-16-5-3-14(4-6-16)12-20-10-9-15-13-21-19-8-7-17(23-2)11-18(15)19/h3-8,11,13,20-21H,9-10,12H2,1-2H3
InChIKeyXOPDXWXKMSAABA-UHFFFAOYSA-N
XLogP3.52
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 2989597) is 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is XOPDXWXKMSAABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-22-16-5-3-14(4-6-16)12-20-10-9-15-13-21-19-8-7-17(23-2)11-18(15)19/h3-8,11,13,20-21H,9-10,12H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2989597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).