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

C10H12FNO2 — CID 82048621

IUPAC2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N)cc1F
InChIInChI=1S/C10H12FNO2/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6H,12H2,1-2H3
InChIKeyCAJRACYOFRNKCI-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.36
Rot. Bonds3

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

2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 82048621) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID82048621
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N)cc1F
InChIInChI=1S/C10H12FNO2/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6H,12H2,1-2H3
InChIKeyCAJRACYOFRNKCI-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
CID 82287555
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-one
CID 116597896
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
3-fluoro-4-methoxybenzoate
CID 4251674
2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
CID 81242733
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CID 82048621) is 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N)cc1F.
What is the InChIKey of 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is CAJRACYOFRNKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6H,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82048621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).