2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone

C10H13NO3 — CID 84665966

IUPAC2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
SMILESCOc1cc(C)c(O)c(C(=O)CN)c1
InChIInChI=1S/C10H13NO3/c1-6-3-7(14-2)4-8(10(6)13)9(12)5-11/h3-4,13H,5,11H2,1-2H3
InChIKeyHISUDRKIUNBJJU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone

2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone (PubChem CID 84665966) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
PubChem CID84665966
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
SMILESCOc1cc(C)c(O)c(C(=O)CN)c1
InChIInChI=1S/C10H13NO3/c1-6-3-7(14-2)4-8(10(6)13)9(12)5-11/h3-4,13H,5,11H2,1-2H3
InChIKeyHISUDRKIUNBJJU-UHFFFAOYSA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
CID 84785712
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
CID 84693050
3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
CID 84809538
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
3-amino-2-(2-hydroxy-5-methoxy-3-methylphenyl)propanoic acid
CID 84689657
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
3-(2-aminoacetyl)-4-hydroxy-5-methoxybenzonitrile
CID 117294523

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone (CID 84665966) is 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone is COc1cc(C)c(O)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone?
The InChIKey is HISUDRKIUNBJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-3-7(14-2)4-8(10(6)13)9(12)5-11/h3-4,13H,5,11H2,1-2H3.
What are the key properties of 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone?
2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone has a molecular weight of 195.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 84665966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).