ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate

C14H20BrNO3 — CID 62540113

IUPACethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1ccccc1Br
InChIInChI=1S/C14H20BrNO3/c1-4-19-13(17)14(2,16-9-10-18-3)11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3
InChIKeyIUFRZWRBJGUSLS-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate

ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate (PubChem CID 62540113) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
PubChem CID62540113
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Nameethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1ccccc1Br
InChIInChI=1S/C14H20BrNO3/c1-4-19-13(17)14(2,16-9-10-18-3)11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3
InChIKeyIUFRZWRBJGUSLS-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate?
The IUPAC name of ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate (CID 62540113) is ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate?
The canonical SMILES for ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate is CCOC(=O)C(C)(NCCOC)c1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate?
The InChIKey is IUFRZWRBJGUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-4-19-13(17)14(2,16-9-10-18-3)11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate?
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate has a molecular weight of 330.22 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 62540113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).