1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine

C16H17BrFNO — CID 43311343

IUPAC1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine
SMILESCCOc1ccc(Br)cc1C(N)Cc1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-2-20-16-8-7-12(17)10-13(16)15(19)9-11-5-3-4-6-14(11)18/h3-8,10,15H,2,9,19H2,1H3
InChIKeyARCXGSWHBQEJGB-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.23
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine

1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 43311343) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine
PubChem CID43311343
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine
SMILESCCOc1ccc(Br)cc1C(N)Cc1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-2-20-16-8-7-12(17)10-13(16)15(19)9-11-5-3-4-6-14(11)18/h3-8,10,15H,2,9,19H2,1H3
InChIKeyARCXGSWHBQEJGB-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine (CID 43311343) is 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine is CCOc1ccc(Br)cc1C(N)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is ARCXGSWHBQEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-2-20-16-8-7-12(17)10-13(16)15(19)9-11-5-3-4-6-14(11)18/h3-8,10,15H,2,9,19H2,1H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine?
1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 43311343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).