4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one

C15H23NO2 — CID 3072338

IUPAC4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one
SMILESCc1cc(C)c(C(=O)CCCNCCO)c(C)c1
InChIInChI=1S/C15H23NO2/c1-11-9-12(2)15(13(3)10-11)14(18)5-4-6-16-7-8-17/h9-10,16-17H,4-8H2,1-3H3
InChIKeyXHVPNGUYIVUDGH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.16
Rot. Bonds7

About 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one

4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one (PubChem CID 3072338) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one
PubChem CID3072338
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one
SMILESCc1cc(C)c(C(=O)CCCNCCO)c(C)c1
InChIInChI=1S/C15H23NO2/c1-11-9-12(2)15(13(3)10-11)14(18)5-4-6-16-7-8-17/h9-10,16-17H,4-8H2,1-3H3
InChIKeyXHVPNGUYIVUDGH-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one?
The IUPAC name of 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one (CID 3072338) is 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one?
The canonical SMILES for 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one is Cc1cc(C)c(C(=O)CCCNCCO)c(C)c1.
What is the InChIKey of 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one?
The InChIKey is XHVPNGUYIVUDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-12(2)15(13(3)10-11)14(18)5-4-6-16-7-8-17/h9-10,16-17H,4-8H2,1-3H3.
What are the key properties of 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one?
4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-1-(2,4,6-trimethylphenyl)butan-1-one is sourced from PubChem (CID 3072338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).