3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one

C11H14FNO3 — CID 117326578

IUPAC3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)c(C(=O)CCN)cc1F
InChIInChI=1S/C11H14FNO3/c1-15-10-6-11(16-2)8(12)5-7(10)9(14)3-4-13/h5-6H,3-4,13H2,1-2H3
InChIKeyUVVPULNFMGDHQK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.37
Rot. Bonds5

About 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one

3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one (PubChem CID 117326578) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
PubChem CID117326578
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)c(C(=O)CCN)cc1F
InChIInChI=1S/C11H14FNO3/c1-15-10-6-11(16-2)8(12)5-7(10)9(14)3-4-13/h5-6H,3-4,13H2,1-2H3
InChIKeyUVVPULNFMGDHQK-UHFFFAOYSA-N
XLogP1.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
3-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]propan-1-one
CID 117401274
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231
1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384
4-(2,5-difluoro-4-methoxyphenyl)-4-oxobutanenitrile
CID 116862131

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one (CID 117326578) is 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one is COc1cc(OC)c(C(=O)CCN)cc1F.
What is the InChIKey of 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one?
The InChIKey is UVVPULNFMGDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-10-6-11(16-2)8(12)5-7(10)9(14)3-4-13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one?
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one has a molecular weight of 227.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 117326578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).