ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate

C13H18BrNO4 — CID 61327800

IUPACethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1cc(Br)ccc1OC
InChIInChI=1S/C13H18BrNO4/c1-3-19-13(16)8-18-7-11(15)10-6-9(14)4-5-12(10)17-2/h4-6,11H,3,7-8,15H2,1-2H3
InChIKeyUTPKOTFKOKJFHR-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate

ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate (PubChem CID 61327800) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
PubChem CID61327800
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Nameethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1cc(Br)ccc1OC
InChIInChI=1S/C13H18BrNO4/c1-3-19-13(16)8-18-7-11(15)10-6-9(14)4-5-12(10)17-2/h4-6,11H,3,7-8,15H2,1-2H3
InChIKeyUTPKOTFKOKJFHR-UHFFFAOYSA-N
XLogP2.04
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
CID 153439532
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CID 171204821
ethyl (3R)-3-amino-3-(5-bromo-2-methoxyphenyl)-2-fluoropropanoate
CID 171240179
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
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ethyl 2-[(5-bromo-2-methoxyphenyl)-hydroxymethyl]butanoate
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(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685
ethyl (2S)-2-(5-bromo-2-methoxyphenyl)-3-hydroxypropanoate
CID 102076818
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
ethyl (3S)-3-amino-3-(5-bromo-2-methoxyphenyl)-2,2-difluoropropanoate
CID 171246879
ethyl 5-amino-5-(5-bromo-2-ethoxyphenyl)-3-methylpentanoate
CID 62942372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate (CID 61327800) is ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate is CCOC(=O)COCC(N)c1cc(Br)ccc1OC.
What is the InChIKey of ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate?
The InChIKey is UTPKOTFKOKJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-3-19-13(16)8-18-7-11(15)10-6-9(14)4-5-12(10)17-2/h4-6,11H,3,7-8,15H2,1-2H3.
What are the key properties of ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate?
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate has a molecular weight of 332.19 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate is sourced from PubChem (CID 61327800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).