1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one

C10H12FNO2 — CID 165444384

IUPAC1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(F)c(OC)cc1N
InChIInChI=1S/C10H12FNO2/c1-3-9(13)6-4-7(11)10(14-2)5-8(6)12/h4-5H,3,12H2,1-2H3
InChIKeyDPEPQIATLUWQAL-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.01
Rot. Bonds3

About 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one

1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 165444384) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID165444384
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(F)c(OC)cc1N
InChIInChI=1S/C10H12FNO2/c1-3-9(13)6-4-7(11)10(14-2)5-8(6)12/h4-5H,3,12H2,1-2H3
InChIKeyDPEPQIATLUWQAL-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
1-(2-amino-5-fluoro-4-nitrosophenyl)propan-1-one
CID 143172262
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
CID 146010216
1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one
CID 175263990
2-(aminomethyl)-1-(2,5-difluoro-4-methoxyphenyl)butan-1-one
CID 116923225
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one (CID 165444384) is 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one is CCC(=O)c1cc(F)c(OC)cc1N.
What is the InChIKey of 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is DPEPQIATLUWQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-3-9(13)6-4-7(11)10(14-2)5-8(6)12/h4-5H,3,12H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one?
1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 197.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 165444384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).