3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one

C10H12FNO2 — CID 84774234

IUPAC3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
SMILESCc1cc(F)c(O)cc1C(=O)CCN
InChIInChI=1S/C10H12FNO2/c1-6-4-8(11)10(14)5-7(6)9(13)2-3-12/h4-5,14H,2-3,12H2,1H3
InChIKeyOLFSYUAJSRUTQY-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one

3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one (PubChem CID 84774234) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
PubChem CID84774234
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
SMILESCc1cc(F)c(O)cc1C(=O)CCN
InChIInChI=1S/C10H12FNO2/c1-6-4-8(11)10(14)5-7(6)9(13)2-3-12/h4-5,14H,2-3,12H2,1H3
InChIKeyOLFSYUAJSRUTQY-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
7-amino-1-(2,4,5-trimethylphenyl)heptan-1-one
CID 116551392
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
CID 81251881
5-oxo-5-(2,4,5-trimethylphenyl)pentanoic acid
CID 24727183
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(4-hydroxy-2,3,6-trimethylphenyl)propan-1-one
CID 115113441
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
CID 117412069

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one (CID 84774234) is 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one is Cc1cc(F)c(O)cc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one?
The InChIKey is OLFSYUAJSRUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-4-8(11)10(14)5-7(6)9(13)2-3-12/h4-5,14H,2-3,12H2,1H3.
What are the key properties of 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one?
3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one is sourced from PubChem (CID 84774234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).