2,2-diethoxy-N-(2-phenylethyl)ethanamine

C14H23NO2 — CID 523116

IUPAC2,2-diethoxy-N-(2-phenylethyl)ethanamine
SMILESCCOC(CNCCc1ccccc1)OCC
InChIInChI=1S/C14H23NO2/c1-3-16-14(17-4-2)12-15-11-10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKeyIZISGBNIQIHBHI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.22
Rot. Bonds9

About 2,2-diethoxy-N-(2-phenylethyl)ethanamine

2,2-diethoxy-N-(2-phenylethyl)ethanamine (PubChem CID 523116) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-diethoxy-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(2-phenylethyl)ethanamine
PubChem CID523116
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-diethoxy-N-(2-phenylethyl)ethanamine
SMILESCCOC(CNCCc1ccccc1)OCC
InChIInChI=1S/C14H23NO2/c1-3-16-14(17-4-2)12-15-11-10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKeyIZISGBNIQIHBHI-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-(2-phenylethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(2-phenylethyl)ethanamine (CID 523116) is 2,2-diethoxy-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(2-phenylethyl)ethanamine is CCOC(CNCCc1ccccc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-(2-phenylethyl)ethanamine?
The InChIKey is IZISGBNIQIHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-16-14(17-4-2)12-15-11-10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-(2-phenylethyl)ethanamine?
2,2-diethoxy-N-(2-phenylethyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 523116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).