2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

C15H24N2O — CID 43778380

IUPAC2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCCOCCNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H24N2O/c1-2-18-12-9-16-13-14-7-3-4-8-15(14)17-10-5-6-11-17/h3-4,7-8,16H,2,5-6,9-13H2,1H3
InChIKeySHUPQUHZNJMWCD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds7

About 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 43778380) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID43778380
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCCOCCNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H24N2O/c1-2-18-12-9-16-13-14-7-3-4-8-15(14)17-10-5-6-11-17/h3-4,7-8,16H,2,5-6,9-13H2,1H3
InChIKeySHUPQUHZNJMWCD-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 43778380) is 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is CCOCCNCc1ccccc1N1CCCC1.
What is the InChIKey of 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is SHUPQUHZNJMWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-12-9-16-13-14-7-3-4-8-15(14)17-10-5-6-11-17/h3-4,7-8,16H,2,5-6,9-13H2,1H3.
What are the key properties of 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43778380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).