1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine

C13H18BrFN2O — CID 91080170

IUPAC1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine
SMILESCC(C(N)c1ccc(Br)c(F)c1)N1CCOCC1
InChIInChI=1S/C13H18BrFN2O/c1-9(17-4-6-18-7-5-17)13(16)10-2-3-11(14)12(15)8-10/h2-3,8-9,13H,4-7,16H2,1H3
InChIKeyLHGYBDANLCEGPU-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.31
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine

1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine (PubChem CID 91080170) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine
PubChem CID91080170
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine
SMILESCC(C(N)c1ccc(Br)c(F)c1)N1CCOCC1
InChIInChI=1S/C13H18BrFN2O/c1-9(17-4-6-18-7-5-17)13(16)10-2-3-11(14)12(15)8-10/h2-3,8-9,13H,4-7,16H2,1H3
InChIKeyLHGYBDANLCEGPU-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine (CID 91080170) is 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine is CC(C(N)c1ccc(Br)c(F)c1)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine?
The InChIKey is LHGYBDANLCEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-9(17-4-6-18-7-5-17)13(16)10-2-3-11(14)12(15)8-10/h2-3,8-9,13H,4-7,16H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine?
1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine has a molecular weight of 317.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 91080170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).