3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one

C10H12FNO2 — CID 82606899

IUPAC3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)ccc1F
InChIInChI=1S/C10H12FNO2/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6H,4-5,12H2,1H3
InChIKeyPEGHJALEMCNGHT-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one

3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one (PubChem CID 82606899) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
PubChem CID82606899
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)ccc1F
InChIInChI=1S/C10H12FNO2/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6H,4-5,12H2,1H3
InChIKeyPEGHJALEMCNGHT-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
1-(4-fluoro-3-methoxyphenyl)-4-methoxybutan-1-one
CID 115815632
1-(4-fluoro-3-methoxyphenyl)decan-1-one
CID 114966463
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
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-3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one (CID 82606899) is 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one is COc1cc(C(=O)CCN)ccc1F.
What is the InChIKey of 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one?
The InChIKey is PEGHJALEMCNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one?
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82606899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).