1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one

C15H23NO2 — CID 58066806

IUPAC1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one
SMILESCCN(CCO)CC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C15H23NO2/c1-4-16(8-9-17)11-14(18)10-15-12(2)6-5-7-13(15)3/h5-7,17H,4,8-11H2,1-3H3
InChIKeyOCZVQDMHGAICBC-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.73
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one

1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one (PubChem CID 58066806) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one
PubChem CID58066806
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one
SMILESCCN(CCO)CC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C15H23NO2/c1-4-16(8-9-17)11-14(18)10-15-12(2)6-5-7-13(15)3/h5-7,17H,4,8-11H2,1-3H3
InChIKeyOCZVQDMHGAICBC-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one (CID 58066806) is 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one is CCN(CCO)CC(=O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one?
The InChIKey is OCZVQDMHGAICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(8-9-17)11-14(18)10-15-12(2)6-5-7-13(15)3/h5-7,17H,4,8-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one?
1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one has a molecular weight of 249.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-one is sourced from PubChem (CID 58066806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).