3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one

C12H16FNO2 — CID 81463484

IUPAC3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
SMILESCCC(N)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8/h4-6,9H,3,7,14H2,1-2H3
InChIKeyJJWXFWRZGPFJKK-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one

3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one (PubChem CID 81463484) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
PubChem CID81463484
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
SMILESCCC(N)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8/h4-6,9H,3,7,14H2,1-2H3
InChIKeyJJWXFWRZGPFJKK-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-one
CID 112629850
2-butan-2-ylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220186
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
3-amino-1-(2,6-dimethoxyphenyl)pentan-1-one
CID 116811619

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
The IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one (CID 81463484) is 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one is CCC(N)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
The InChIKey is JJWXFWRZGPFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8/h4-6,9H,3,7,14H2,1-2H3.
What are the key properties of 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one has a molecular weight of 225.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 81463484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).