1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

C12H16FNO2 — CID 116566511

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C12H16FNO2/c1-12(2,14-3)11(15)9-7-8(13)5-6-10(9)16-4/h5-7,14H,1-4H3
InChIKeyNZEUGLJJLATTQL-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.02
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566511) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566511
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C12H16FNO2/c1-12(2,14-3)11(15)9-7-8(13)5-6-10(9)16-4/h5-7,14H,1-4H3
InChIKeyNZEUGLJJLATTQL-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-hydroxybutan-1-one
CID 103447173
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
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(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
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CID 31063829
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 116566511) is 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is NZEUGLJJLATTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,14-3)11(15)9-7-8(13)5-6-10(9)16-4/h5-7,14H,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 225.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).