2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine

C13H20FNO2 — CID 79496374

IUPAC2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-16-13(17-5-2)12(15-3)10-7-6-8-11(14)9-10/h6-9,12-13,15H,4-5H2,1-3H3
InChIKeyQGEWBKKZPJSXQG-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.49
Rot. Bonds7

About 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine

2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine (PubChem CID 79496374) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
PubChem CID79496374
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-16-13(17-5-2)12(15-3)10-7-6-8-11(14)9-10/h6-9,12-13,15H,4-5H2,1-3H3
InChIKeyQGEWBKKZPJSXQG-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,2-diethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105246396
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
2-[(3-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959736
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 80605462
2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
CID 81231645
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine (CID 79496374) is 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine is CCOC(OCC)C(NC)c1cccc(F)c1.
What is the InChIKey of 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is QGEWBKKZPJSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-16-13(17-5-2)12(15-3)10-7-6-8-11(14)9-10/h6-9,12-13,15H,4-5H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine?
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 79496374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).