2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone

C17H18FNO2 — CID 62051933

IUPAC2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-19(11-13-6-4-3-5-7-13)12-16(20)15-10-14(18)8-9-17(15)21-2/h3-10H,11-12H2,1-2H3
InChIKeyJAZAUHAANWQFKJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.15
Rot. Bonds6

About 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone

2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 62051933) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID62051933
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-19(11-13-6-4-3-5-7-13)12-16(20)15-10-14(18)8-9-17(15)21-2/h3-10H,11-12H2,1-2H3
InChIKeyJAZAUHAANWQFKJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
CID 18333896
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
CID 11673282
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 62051933) is 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is JAZAUHAANWQFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(11-13-6-4-3-5-7-13)12-16(20)15-10-14(18)8-9-17(15)21-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 287.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 62051933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).