2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone

C11H14FNO2 — CID 103694166

IUPAC2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)C)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-13(2)7-11(14)9-5-4-8(15-3)6-10(9)12/h4-6H,7H2,1-3H3
InChIKeyYEEOMCVPIULDFS-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.58
Rot. Bonds4

About 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone

2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone (PubChem CID 103694166) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
PubChem CID103694166
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)C)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-13(2)7-11(14)9-5-4-8(15-3)6-10(9)12/h4-6H,7H2,1-3H3
InChIKeyYEEOMCVPIULDFS-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024596
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
CID 103395254
5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 55157298

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone (CID 103694166) is 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN(C)C)c(F)c1.
What is the InChIKey of 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is YEEOMCVPIULDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(2)7-11(14)9-5-4-8(15-3)6-10(9)12/h4-6H,7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone?
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 211.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 103694166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).