2,2-diethoxy-2-phenylethanamine

C12H19NO2 — CID 12746638

IUPAC2,2-diethoxy-2-phenylethanamine
SMILESCCOC(CN)(OCC)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-3-14-12(10-13,15-4-2)11-8-6-5-7-9-11/h5-9H,3-4,10,13H2,1-2H3
InChIKeyJTSVWVBYIDQHTA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds6

About 2,2-diethoxy-2-phenylethanamine

2,2-diethoxy-2-phenylethanamine (PubChem CID 12746638) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,2-diethoxy-2-phenylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-2-phenylethanamine
PubChem CID12746638
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,2-diethoxy-2-phenylethanamine
SMILESCCOC(CN)(OCC)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-3-14-12(10-13,15-4-2)11-8-6-5-7-9-11/h5-9H,3-4,10,13H2,1-2H3
InChIKeyJTSVWVBYIDQHTA-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-diethoxy-2-phenylethanamine 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 2,2-diethoxy-2-phenylethanamine?
The IUPAC name of 2,2-diethoxy-2-phenylethanamine (CID 12746638) is 2,2-diethoxy-2-phenylethanamine.
What is the SMILES notation for 2,2-diethoxy-2-phenylethanamine?
The canonical SMILES for 2,2-diethoxy-2-phenylethanamine is CCOC(CN)(OCC)c1ccccc1.
What is the InChIKey of 2,2-diethoxy-2-phenylethanamine?
The InChIKey is JTSVWVBYIDQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-14-12(10-13,15-4-2)11-8-6-5-7-9-11/h5-9H,3-4,10,13H2,1-2H3.
What are the key properties of 2,2-diethoxy-2-phenylethanamine?
2,2-diethoxy-2-phenylethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-2-phenylethanamine is sourced from PubChem (CID 12746638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).