2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine

C15H26N2O — CID 63691606

IUPAC2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCCOCCN(CC)Cc1ccc(CNC)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(10-11-18-5-2)13-15-8-6-14(7-9-15)12-16-3/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyWLKCCKGGUXUDIE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds9

About 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine

2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine (PubChem CID 63691606) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
PubChem CID63691606
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCCOCCN(CC)Cc1ccc(CNC)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(10-11-18-5-2)13-15-8-6-14(7-9-15)12-16-3/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyWLKCCKGGUXUDIE-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
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-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine (CID 63691606) is 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine is CCOCCN(CC)Cc1ccc(CNC)cc1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
The InChIKey is WLKCCKGGUXUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(10-11-18-5-2)13-15-8-6-14(7-9-15)12-16-3/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63691606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).