2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

C16H23BrFNO2 — CID 116764882

IUPAC2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)C1(OC)CCOCC1
InChIInChI=1S/C16H23BrFNO2/c1-3-19-15(16(20-2)6-8-21-9-7-16)11-12-10-13(18)4-5-14(12)17/h4-5,10,15,19H,3,6-9,11H2,1-2H3
InChIKeyOXDMFOZDJUBJPZ-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764882) has the molecular formula C16H23BrFNO2 and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764882
Molecular FormulaC16H23BrFNO2
Molecular Weight360.27 g/mol
Exact Mass359.09
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)C1(OC)CCOCC1
InChIInChI=1S/C16H23BrFNO2/c1-3-19-15(16(20-2)6-8-21-9-7-16)11-12-10-13(18)4-5-14(12)17/h4-5,10,15,19H,3,6-9,11H2,1-2H3
InChIKeyOXDMFOZDJUBJPZ-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764882) is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is CCNC(Cc1cc(F)ccc1Br)C1(OC)CCOCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is OXDMFOZDJUBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO2/c1-3-19-15(16(20-2)6-8-21-9-7-16)11-12-10-13(18)4-5-14(12)17/h4-5,10,15,19H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 360.27 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).