2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone

C11H15NO3 — CID 117298533

IUPAC2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)c(C(=O)CN)c1O
InChIInChI=1S/C11H15NO3/c1-6-4-9(15-3)11(14)10(7(6)2)8(13)5-12/h4,14H,5,12H2,1-3H3
InChIKeyWVXMREXYUDQUBB-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone

2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone (PubChem CID 117298533) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
PubChem CID117298533
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)c(C(=O)CN)c1O
InChIInChI=1S/C11H15NO3/c1-6-4-9(15-3)11(14)10(7(6)2)8(13)5-12/h4,14H,5,12H2,1-3H3
InChIKeyWVXMREXYUDQUBB-UHFFFAOYSA-N
XLogP1.16
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
CID 117285154
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
CID 117359258
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone (CID 117298533) is 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone is COc1cc(C)c(C)c(C(=O)CN)c1O.
What is the InChIKey of 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone?
The InChIKey is WVXMREXYUDQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-4-9(15-3)11(14)10(7(6)2)8(13)5-12/h4,14H,5,12H2,1-3H3.
What are the key properties of 2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone?
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone has a molecular weight of 209.24 g/mol, XLogP of 1.16, 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-3-methoxy-5,6-dimethylphenyl)ethanone is sourced from PubChem (CID 117298533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).