1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

C13H19NO2 — CID 116566286

IUPAC1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOc1ccccc1C(=O)C(C)(C)NC
InChIInChI=1S/C13H19NO2/c1-5-16-11-9-7-6-8-10(11)12(15)13(2,3)14-4/h6-9,14H,5H2,1-4H3
InChIKeyUUFBHTPXMUBUJU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566286) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566286
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOc1ccccc1C(=O)C(C)(C)NC
InChIInChI=1S/C13H19NO2/c1-5-16-11-9-7-6-8-10(11)12(15)13(2,3)14-4/h6-9,14H,5H2,1-4H3
InChIKeyUUFBHTPXMUBUJU-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(2-ethoxyphenyl)-2-methylbutan-1-one
CID 116746823
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566524
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 116566286) is 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is CCOc1ccccc1C(=O)C(C)(C)NC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is UUFBHTPXMUBUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-16-11-9-7-6-8-10(11)12(15)13(2,3)14-4/h6-9,14H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).