4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one

C15H23NO2 — CID 115235921

IUPAC4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
SMILESCCOc1ccc(CCNCCC(C)=O)cc1C
InChIInChI=1S/C15H23NO2/c1-4-18-15-6-5-14(11-12(15)2)8-10-16-9-7-13(3)17/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyLIWYIQBGALJMFT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.50
Rot. Bonds8

About 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one

4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one (PubChem CID 115235921) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one.

Molecular Properties

Compound Name4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
PubChem CID115235921
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
SMILESCCOc1ccc(CCNCCC(C)=O)cc1C
InChIInChI=1S/C15H23NO2/c1-4-18-15-6-5-14(11-12(15)2)8-10-16-9-7-13(3)17/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyLIWYIQBGALJMFT-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one 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

N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
4-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]butan-2-one
CID 115236050
2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 115152025
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256919
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one?
The IUPAC name of 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one (CID 115235921) is 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one.
What is the SMILES notation for 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one?
The canonical SMILES for 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one is CCOc1ccc(CCNCCC(C)=O)cc1C.
What is the InChIKey of 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one?
The InChIKey is LIWYIQBGALJMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-15-6-5-14(11-12(15)2)8-10-16-9-7-13(3)17/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one?
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one is sourced from PubChem (CID 115235921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).