1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one

C14H21NO2 — CID 82100246

IUPAC1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCCOC)cc1
InChIInChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)14(16)11(2)15-9-10-17-3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyMBTKJPUKPFQHHR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one

1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one (PubChem CID 82100246) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
PubChem CID82100246
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCCOC)cc1
InChIInChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)14(16)11(2)15-9-10-17-3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyMBTKJPUKPFQHHR-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-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

2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
4-(4-ethylphenyl)-3-(2-methoxyethylamino)-4-oxobutanoic acid
CID 82322357
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
CID 82100261
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82312671
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82101067
1-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethylamino]propan-1-one;hydrate;hydrochloride
CID 3031074

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one (CID 82100246) is 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one is CCc1ccc(C(=O)C(C)NCCOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one?
The InChIKey is MBTKJPUKPFQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)14(16)11(2)15-9-10-17-3/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one?
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one is sourced from PubChem (CID 82100246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).