4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one

C11H14FNO2 — CID 116940506

IUPAC4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
SMILESCOc1ccc(F)cc1C(N)CC(C)=O
InChIInChI=1S/C11H14FNO2/c1-7(14)5-10(13)9-6-8(12)3-4-11(9)15-2/h3-4,6,10H,5,13H2,1-2H3
InChIKeyYRWQXTFSEKKFEA-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.81
Rot. Bonds4

About 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one

4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one (PubChem CID 116940506) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
PubChem CID116940506
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
SMILESCOc1ccc(F)cc1C(N)CC(C)=O
InChIInChI=1S/C11H14FNO2/c1-7(14)5-10(13)9-6-8(12)3-4-11(9)15-2/h3-4,6,10H,5,13H2,1-2H3
InChIKeyYRWQXTFSEKKFEA-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171205383
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
3-(5-fluoro-2-methoxyphenyl)-3-(propan-2-ylamino)propanoic acid
CID 112518994
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one?
The IUPAC name of 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one (CID 116940506) is 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one.
What is the SMILES notation for 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one?
The canonical SMILES for 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one is COc1ccc(F)cc1C(N)CC(C)=O.
What is the InChIKey of 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one?
The InChIKey is YRWQXTFSEKKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(14)5-10(13)9-6-8(12)3-4-11(9)15-2/h3-4,6,10H,5,13H2,1-2H3.
What are the key properties of 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one?
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one has a molecular weight of 211.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one is sourced from PubChem (CID 116940506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).