2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one

C12H16FNO2 — CID 84790194

IUPAC2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one
SMILESCOc1c(C)cc(C)c(F)c1C(=O)C(C)N
InChIInChI=1S/C12H16FNO2/c1-6-5-7(2)12(16-4)9(10(6)13)11(15)8(3)14/h5,8H,14H2,1-4H3
InChIKeyDRZXQGDFZYXIIV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one

2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one (PubChem CID 84790194) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one
PubChem CID84790194
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one
SMILESCOc1c(C)cc(C)c(F)c1C(=O)C(C)N
InChIInChI=1S/C12H16FNO2/c1-6-5-7(2)12(16-4)9(10(6)13)11(15)8(3)14/h5,8H,14H2,1-4H3
InChIKeyDRZXQGDFZYXIIV-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-Acetyl-2-methoxyphenyl)-2-(dimethylamino)-1-(4-fluorophenyl)propan-1-one
CID 4876990
1-Propanone, 2-amino-1-(4-methoxyphenyl)-
CID 12626564
[3-[(1R)-1-aminopropyl]-2-fluoro-6-methoxyphenyl]-phenylmethanone
CID 117875396
Hydrocinnamic acid, alpha-amino-3-carboxy-4-methoxy-, hydrochloride, DL-
CID 19271
3-Carboxy-O-methyltyrosine
CID 19272
Ethanone, 2-((1,1-dimethylethyl)amino)-1-(2-methoxyphenyl)-, hydrochloride
CID 3062446
2-Amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 12626535
2-Amino-1-(2-methoxyphenyl)propan-1-one
CID 12914879
2-Amino-1-(2-methoxyphenyl)ethanone
CID 19833025
2-amino-3-[3-(2-(18F)fluoroethyl)-4-methoxyphenyl]propanoic acid
CID 44439372
[3-[(1R)-1-aminopropyl]-2-fluoro-6-methoxyphenyl]-(3-fluorophenyl)methanone
CID 117874808
[3-[(R)-amino(cyclopropyl)methyl]-2-fluoro-6-methoxyphenyl]-(3-fluorophenyl)methanone
CID 117875220

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one (CID 84790194) is 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one is COc1c(C)cc(C)c(F)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one?
The InChIKey is DRZXQGDFZYXIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-6-5-7(2)12(16-4)9(10(6)13)11(15)8(3)14/h5,8H,14H2,1-4H3.
What are the key properties of 2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one?
2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one has a molecular weight of 225.26 g/mol, XLogP of 1.98, 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-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 84790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).