2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine

C11H15BrFNO — CID 67575811

IUPAC2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)(CN)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-3-15-11(2,7-14)8-4-5-9(12)10(13)6-8/h4-6H,3,7,14H2,1-2H3
InChIKeyUVFGAGPBAYLHBD-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine

2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine (PubChem CID 67575811) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine
PubChem CID67575811
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)(CN)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-3-15-11(2,7-14)8-4-5-9(12)10(13)6-8/h4-6H,3,7,14H2,1-2H3
InChIKeyUVFGAGPBAYLHBD-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine (CID 67575811) is 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine is CCOC(C)(CN)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine?
The InChIKey is UVFGAGPBAYLHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-3-15-11(2,7-14)8-4-5-9(12)10(13)6-8/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine?
2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-ethoxypropan-1-amine is sourced from PubChem (CID 67575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).