1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one

C15H22FNO2 — CID 82952009

IUPAC1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
SMILESCOCCN(CCC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO2/c1-12(2)17(10-11-19-3)9-8-15(18)13-4-6-14(16)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyZVWGYDGIGJDPLI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.76
Rot. Bonds8

About 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one

1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one (PubChem CID 82952009) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
PubChem CID82952009
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
SMILESCOCCN(CCC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO2/c1-12(2)17(10-11-19-3)9-8-15(18)13-4-6-14(16)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyZVWGYDGIGJDPLI-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
CID 62029566
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
1-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)butan-1-one
CID 64644323
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
CID 54936830
methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 68731226

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one (CID 82952009) is 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one is COCCN(CCC(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is ZVWGYDGIGJDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(2)17(10-11-19-3)9-8-15(18)13-4-6-14(16)7-5-13/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one has a molecular weight of 267.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 82952009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).