2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone

C11H14FNO3 — CID 117326430

IUPAC2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(F)c(OC)c(C(=O)CN)c1
InChIInChI=1S/C11H14FNO3/c1-15-6-7-3-8(10(14)5-13)11(16-2)9(12)4-7/h3-4H,5-6,13H2,1-2H3
InChIKeyAOQZPVGGPWJFIN-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone

2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone (PubChem CID 117326430) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
PubChem CID117326430
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(F)c(OC)c(C(=O)CN)c1
InChIInChI=1S/C11H14FNO3/c1-15-6-7-3-8(10(14)5-13)11(16-2)9(12)4-7/h3-4H,5-6,13H2,1-2H3
InChIKeyAOQZPVGGPWJFIN-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306250
3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
CID 117385904
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117350605
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone (CID 117326430) is 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone is COCc1cc(F)c(OC)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
The InChIKey is AOQZPVGGPWJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-6-7-3-8(10(14)5-13)11(16-2)9(12)4-7/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone has a molecular weight of 227.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117326430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).