methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate

C15H23NO3 — CID 60966567

IUPACmethyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCCOc1ccccc1CN(C)CC(C)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-5-19-14-9-7-6-8-13(14)11-16(3)10-12(2)15(17)18-4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyGERMVYZEZWBEGJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds7

About methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate

methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate (PubChem CID 60966567) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
PubChem CID60966567
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCCOc1ccccc1CN(C)CC(C)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-5-19-14-9-7-6-8-13(14)11-16(3)10-12(2)15(17)18-4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyGERMVYZEZWBEGJ-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 70907000
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
methyl 3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoate
CID 62012083
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate (CID 60966567) is methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate is CCOc1ccccc1CN(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is GERMVYZEZWBEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-14-9-7-6-8-13(14)11-16(3)10-12(2)15(17)18-4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate?
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60966567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).