ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate

C14H21NO2 — CID 64540717

IUPACethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
SMILESCCOC(=O)CC(c1ccccc1C)N(C)C
InChIInChI=1S/C14H21NO2/c1-5-17-14(16)10-13(15(3)4)12-9-7-6-8-11(12)2/h6-9,13H,5,10H2,1-4H3
InChIKeyDOBNMYYLUISULW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds5

About ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate

ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate (PubChem CID 64540717) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
PubChem CID64540717
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
SMILESCCOC(=O)CC(c1ccccc1C)N(C)C
InChIInChI=1S/C14H21NO2/c1-5-17-14(16)10-13(15(3)4)12-9-7-6-8-11(12)2/h6-9,13H,5,10H2,1-4H3
InChIKeyDOBNMYYLUISULW-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate 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

ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
CID 79982330
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
CID 54593844
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
ethyl 2-[[cyano-(2-methylphenyl)methyl]amino]acetate
CID 112500735
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
CID 42192377
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83093864
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
ethyl 2-[2-(methylamino)-2-(2-methylphenyl)ethyl]sulfonylacetate
CID 64675181
ethyl 2-(2-methylphenyl)-2-methylsulfanylacetate
CID 12946319

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate?
The IUPAC name of ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate (CID 64540717) is ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate is CCOC(=O)CC(c1ccccc1C)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate?
The InChIKey is DOBNMYYLUISULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-17-14(16)10-13(15(3)4)12-9-7-6-8-11(12)2/h6-9,13H,5,10H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate?
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate is sourced from PubChem (CID 64540717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).