1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one

C14H21NO2 — CID 116566228

IUPAC1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1cccc(OCC)c1
InChIInChI=1S/C14H21NO2/c1-5-15-14(3,4)13(16)11-8-7-9-12(10-11)17-6-2/h7-10,15H,5-6H2,1-4H3
InChIKeyQUYPYITVVMQTJF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.66
Rot. Bonds6

About 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one

1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 116566228) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID116566228
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1cccc(OCC)c1
InChIInChI=1S/C14H21NO2/c1-5-15-14(3,4)13(16)11-8-7-9-12(10-11)17-6-2/h7-10,15H,5-6H2,1-4H3
InChIKeyQUYPYITVVMQTJF-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-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-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
CID 116566096
1-(3-ethoxyphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006516
methyl 3-ethoxybenzoate
CID 3267781
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 114607529
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
bromobenzene;3-ethoxybenzoic acid
CID 174626248

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one (CID 116566228) is 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is QUYPYITVVMQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15-14(3,4)13(16)11-8-7-9-12(10-11)17-6-2/h7-10,15H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one?
1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 116566228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).