1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine

C11H15BrFNO — CID 114887178

IUPAC1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1c(F)cccc1Br
InChIInChI=1S/C11H15BrFNO/c1-3-14-10(7-15-2)11-8(12)5-4-6-9(11)13/h4-6,10,14H,3,7H2,1-2H3
InChIKeyYAJGSSZJNYQBKI-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine

1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 114887178) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
PubChem CID114887178
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1c(F)cccc1Br
InChIInChI=1S/C11H15BrFNO/c1-3-14-10(7-15-2)11-8(12)5-4-6-9(11)13/h4-6,10,14H,3,7H2,1-2H3
InChIKeyYAJGSSZJNYQBKI-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 106942336
1-(2-bromo-6-fluorophenyl)-N-ethylbut-3-yn-1-amine
CID 114887283
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 114887240
1-(2-bromo-6-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 114887116
[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105280471
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 114887203
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114887192
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-bromo-6-fluorophenyl)-N-ethylethanamine
CID 114887289

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine (CID 114887178) is 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine is CCNC(COC)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is YAJGSSZJNYQBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-3-14-10(7-15-2)11-8(12)5-4-6-9(11)13/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine?
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 276.15 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 114887178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).