3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one

C14H20FNO2 — CID 81058005

IUPAC3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCOCCN(C)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-3-18-11-10-16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyUTPNNUFLHKCBFI-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds8

About 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one

3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 81058005) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
PubChem CID81058005
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCOCCN(C)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-3-18-11-10-16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyUTPNNUFLHKCBFI-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
CID 43138983
1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
CID 81073777
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
CID 62029566
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one (CID 81058005) is 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one is CCOCCN(C)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is UTPNNUFLHKCBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-18-11-10-16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 253.32 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 81058005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).