2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine

C11H16BrNO2 — CID 66072986

IUPAC2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
SMILESCCOC(CN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-3-15-11(7-13)8-4-5-10(14-2)9(12)6-8/h4-6,11H,3,7,13H2,1-2H3
InChIKeyVVFHOHWFRVYKRN-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine

2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine (PubChem CID 66072986) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
PubChem CID66072986
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
SMILESCCOC(CN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-3-15-11(7-13)8-4-5-10(14-2)9(12)6-8/h4-6,11H,3,7,13H2,1-2H3
InChIKeyVVFHOHWFRVYKRN-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 54904858
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
ethyl (3S)-3-amino-3-(3-bromo-4-methoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171248322
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine (CID 66072986) is 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine is CCOC(CN)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine?
The InChIKey is VVFHOHWFRVYKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-15-11(7-13)8-4-5-10(14-2)9(12)6-8/h4-6,11H,3,7,13H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine?
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine is sourced from PubChem (CID 66072986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).