2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one

C12H17NO3 — CID 84688281

IUPAC2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCCc1ccc(OC)c(O)c1C(=O)C(C)N
InChIInChI=1S/C12H17NO3/c1-4-8-5-6-9(16-3)12(15)10(8)11(14)7(2)13/h5-7,15H,4,13H2,1-3H3
InChIKeyDQIHBYGLRYATFR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one

2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one (PubChem CID 84688281) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
PubChem CID84688281
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCCc1ccc(OC)c(O)c1C(=O)C(C)N
InChIInChI=1S/C12H17NO3/c1-4-8-5-6-9(16-3)12(15)10(8)11(14)7(2)13/h5-7,15H,4,13H2,1-3H3
InChIKeyDQIHBYGLRYATFR-UHFFFAOYSA-N
XLogP1.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653
2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
CID 84704073
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
CID 66512743
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one (CID 84688281) is 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one is CCc1ccc(OC)c(O)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one?
The InChIKey is DQIHBYGLRYATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-8-5-6-9(16-3)12(15)10(8)11(14)7(2)13/h5-7,15H,4,13H2,1-3H3.
What are the key properties of 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one?
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one has a molecular weight of 223.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 84688281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).