2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone

C10H13FN2O — CID 117115563

IUPAC2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
SMILESCN(C)c1c(F)cccc1C(=O)CN
InChIInChI=1S/C10H13FN2O/c1-13(2)10-7(9(14)6-12)4-3-5-8(10)11/h3-5H,6,12H2,1-2H3
InChIKeyAJMFTIFRCPHNOS-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone

2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone (PubChem CID 117115563) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
PubChem CID117115563
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
SMILESCN(C)c1c(F)cccc1C(=O)CN
InChIInChI=1S/C10H13FN2O/c1-13(2)10-7(9(14)6-12)4-3-5-8(10)11/h3-5H,6,12H2,1-2H3
InChIKeyAJMFTIFRCPHNOS-UHFFFAOYSA-N
XLogP1.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
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2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
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2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230
1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone
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2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
CID 82659307
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
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2-(dimethylamino)benzene-1,3-dicarboxylic acid
CID 22767033

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone (CID 117115563) is 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone is CN(C)c1c(F)cccc1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone?
The InChIKey is AJMFTIFRCPHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13(2)10-7(9(14)6-12)4-3-5-8(10)11/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone?
2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone has a molecular weight of 196.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone is sourced from PubChem (CID 117115563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).