1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone

C15H20FNO2 — CID 61431968

IUPAC1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1F)CC1CCCCO1
InChIInChI=1S/C15H20FNO2/c1-17(10-12-6-4-5-9-19-12)11-15(18)13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyYSLOJIFDFFGDFR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone

1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone (PubChem CID 61431968) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
PubChem CID61431968
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1F)CC1CCCCO1
InChIInChI=1S/C15H20FNO2/c1-17(10-12-6-4-5-9-19-12)11-15(18)13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyYSLOJIFDFFGDFR-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432206
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
2-[methyl(oxolan-2-ylmethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61432107
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone (CID 61431968) is 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone is CN(CC(=O)c1ccccc1F)CC1CCCCO1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The InChIKey is YSLOJIFDFFGDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(10-12-6-4-5-9-19-12)11-15(18)13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 61431968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).