3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one

C12H16FNO2 — CID 117323328

IUPAC3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
SMILESCCc1cc(F)c(OC)c(C(=O)CCN)c1
InChIInChI=1S/C12H16FNO2/c1-3-8-6-9(11(15)4-5-14)12(16-2)10(13)7-8/h6-7H,3-5,14H2,1-2H3
InChIKeyVQEFIOQKUBAZAU-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.93
Rot. Bonds5

About 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one

3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one (PubChem CID 117323328) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
PubChem CID117323328
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
SMILESCCc1cc(F)c(OC)c(C(=O)CCN)c1
InChIInChI=1S/C12H16FNO2/c1-3-8-6-9(11(15)4-5-14)12(16-2)10(13)7-8/h6-7H,3-5,14H2,1-2H3
InChIKeyVQEFIOQKUBAZAU-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
CID 117303820
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
5-ethyl-3-fluoro-2-methoxyphenol
CID 84653744
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one (CID 117323328) is 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one is CCc1cc(F)c(OC)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one?
The InChIKey is VQEFIOQKUBAZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-8-6-9(11(15)4-5-14)12(16-2)10(13)7-8/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one?
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one has a molecular weight of 225.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).