2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one

C10H12FNO2 — CID 116594008

IUPAC2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-14-6-9(12)10(13)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChIKeyIZLXIUFZPKEUJA-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one

2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one (PubChem CID 116594008) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
PubChem CID116594008
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-14-6-9(12)10(13)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChIKeyIZLXIUFZPKEUJA-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
CID 107291086
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116594142
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
CID 55010167
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348060
1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
CID 54936830

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one (CID 116594008) is 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one?
The InChIKey is IZLXIUFZPKEUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-6-9(12)10(13)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one?
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one has a molecular weight of 197.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 116594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).