2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone

C10H13NO3 — CID 117285154

IUPAC2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C)c(O)c1C(=O)CN
InChIInChI=1S/C10H13NO3/c1-6-3-4-8(14-2)9(10(6)13)7(12)5-11/h3-4,13H,5,11H2,1-2H3
InChIKeyDGIBQVUSIGQAOA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone

2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone (PubChem CID 117285154) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
PubChem CID117285154
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C)c(O)c1C(=O)CN
InChIInChI=1S/C10H13NO3/c1-6-3-4-8(14-2)9(10(6)13)7(12)5-11/h3-4,13H,5,11H2,1-2H3
InChIKeyDGIBQVUSIGQAOA-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

2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
CID 83843485
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one
CID 606040
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone (CID 117285154) is 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone is COc1ccc(C)c(O)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone?
The InChIKey is DGIBQVUSIGQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-3-4-8(14-2)9(10(6)13)7(12)5-11/h3-4,13H,5,11H2,1-2H3.
What are the key properties of 2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone?
2-amino-1-(2-hydroxy-6-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-6-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 117285154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).