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

C11H14FNO3 — CID 117326576

IUPAC3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
SMILESCOc1c(F)ccc(C(=O)CCN)c1OC
InChIInChI=1S/C11H14FNO3/c1-15-10-7(9(14)5-6-13)3-4-8(12)11(10)16-2/h3-4H,5-6,13H2,1-2H3
InChIKeyJSOYVPVXWFQGKH-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.37
Rot. Bonds5

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

3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one (PubChem CID 117326576) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
PubChem CID117326576
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
SMILESCOc1c(F)ccc(C(=O)CCN)c1OC
InChIInChI=1S/C11H14FNO3/c1-15-10-7(9(14)5-6-13)3-4-8(12)11(10)16-2/h3-4H,5-6,13H2,1-2H3
InChIKeyJSOYVPVXWFQGKH-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-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
methyl 4-(4-fluoronaphthalen-1-yl)-4-oxobutanoate
CID 146006988
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one (CID 117326576) is 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one is COc1c(F)ccc(C(=O)CCN)c1OC.
What is the InChIKey of 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one?
The InChIKey is JSOYVPVXWFQGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-10-7(9(14)5-6-13)3-4-8(12)11(10)16-2/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one?
3-amino-1-(4-fluoro-2,3-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-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 117326576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).