2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine

C15H24FNO2 — CID 55248590

IUPAC2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine
SMILESCCOC(CN(C)C(C)c1ccccc1F)OCC
InChIInChI=1S/C15H24FNO2/c1-5-18-15(19-6-2)11-17(4)12(3)13-9-7-8-10-14(13)16/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeySUBGXZJLBFYXHE-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.22
Rot. Bonds8

About 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine

2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine (PubChem CID 55248590) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine
PubChem CID55248590
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine
SMILESCCOC(CN(C)C(C)c1ccccc1F)OCC
InChIInChI=1S/C15H24FNO2/c1-5-18-15(19-6-2)11-17(4)12(3)13-9-7-8-10-14(13)16/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeySUBGXZJLBFYXHE-UHFFFAOYSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(2-fluorophenyl)ethyl]-N-methylethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine (CID 55248590) is 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine is CCOC(CN(C)C(C)c1ccccc1F)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine?
The InChIKey is SUBGXZJLBFYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-18-15(19-6-2)11-17(4)12(3)13-9-7-8-10-14(13)16/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine?
2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine has a molecular weight of 269.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[1-(2-fluorophenyl)ethyl]-N-methylethanamine is sourced from PubChem (CID 55248590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).