1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone

C12H17NO3 — CID 117319733

IUPAC1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
SMILESCCc1ccc(OC)c(O)c1C(=O)CNC
InChIInChI=1S/C12H17NO3/c1-4-8-5-6-10(16-3)12(15)11(8)9(14)7-13-2/h5-6,13,15H,4,7H2,1-3H3
InChIKeyCOHYXGCGOSSOGB-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.37
Rot. Bonds5

About 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone

1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone (PubChem CID 117319733) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
PubChem CID117319733
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
SMILESCCc1ccc(OC)c(O)c1C(=O)CNC
InChIInChI=1S/C12H17NO3/c1-4-8-5-6-10(16-3)12(15)11(8)9(14)7-13-2/h5-6,13,15H,4,7H2,1-3H3
InChIKeyCOHYXGCGOSSOGB-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117299094
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117463599
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 84677805
2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
CID 117285154
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone (CID 117319733) is 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone is CCc1ccc(OC)c(O)c1C(=O)CNC.
What is the InChIKey of 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is COHYXGCGOSSOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-8-5-6-10(16-3)12(15)11(8)9(14)7-13-2/h5-6,13,15H,4,7H2,1-3H3.
What are the key properties of 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone?
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117319733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).