ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate

C15H23NO3 — CID 65237014

IUPACethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
SMILESCCOC(=O)CC(C)(Cc1ccccc1OC)NC
InChIInChI=1S/C15H23NO3/c1-5-19-14(17)11-15(2,16-3)10-12-8-6-7-9-13(12)18-4/h6-9,16H,5,10-11H2,1-4H3
InChIKeyIHKHYQAZNLNYHV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds7

About ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate

ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate (PubChem CID 65237014) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
PubChem CID65237014
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
SMILESCCOC(=O)CC(C)(Cc1ccccc1OC)NC
InChIInChI=1S/C15H23NO3/c1-5-19-14(17)11-15(2,16-3)10-12-8-6-7-9-13(12)18-4/h6-9,16H,5,10-11H2,1-4H3
InChIKeyIHKHYQAZNLNYHV-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111485941
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate?
The IUPAC name of ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate (CID 65237014) is ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate is CCOC(=O)CC(C)(Cc1ccccc1OC)NC.
What is the InChIKey of ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate?
The InChIKey is IHKHYQAZNLNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-14(17)11-15(2,16-3)10-12-8-6-7-9-13(12)18-4/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate?
ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate is sourced from PubChem (CID 65237014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).