1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine

C12H17BrFNO — CID 105008231

IUPAC1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cccc(F)c1Br
InChIInChI=1S/C12H17BrFNO/c1-3-15-11(8-16-4-2)9-6-5-7-10(14)12(9)13/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyZUSURUXBYDPZQM-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine

1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105008231) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
PubChem CID105008231
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cccc(F)c1Br
InChIInChI=1S/C12H17BrFNO/c1-3-15-11(8-16-4-2)9-6-5-7-10(14)12(9)13/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyZUSURUXBYDPZQM-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 115859654
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 166717657
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine (CID 105008231) is 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is ZUSURUXBYDPZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-15-11(8-16-4-2)9-6-5-7-10(14)12(9)13/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine?
1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 290.18 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105008231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).