1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone

C15H20FNO2 — CID 61432503

IUPAC1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1CCCCO1
InChIInChI=1S/C15H20FNO2/c1-17(10-14-4-2-3-9-19-14)11-15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyLHKVIQKELIKPLK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone

1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone (PubChem CID 61432503) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
PubChem CID61432503
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1CCCCO1
InChIInChI=1S/C15H20FNO2/c1-17(10-14-4-2-3-9-19-14)11-15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyLHKVIQKELIKPLK-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

2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-2-ylmethyl)amino]propan-1-one
CID 83126692
1-(4-bromophenyl)-4-[methyl(oxan-2-ylmethyl)amino]butan-1-one
CID 61432303
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone (CID 61432503) is 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone is CN(CC(=O)c1ccc(F)cc1)CC1CCCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The InChIKey is LHKVIQKELIKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(10-14-4-2-3-9-19-14)11-15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
1-(4-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-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 61432503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).