1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol

C13H19BrFNO — CID 79743269

IUPAC1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
SMILESCCN(CC)CCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-3-16(4-2)8-7-13(17)11-9-10(14)5-6-12(11)15/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyLHCYLFRYDMLSEY-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.35
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol

1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol (PubChem CID 79743269) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
PubChem CID79743269
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
SMILESCCN(CC)CCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-3-16(4-2)8-7-13(17)11-9-10(14)5-6-12(11)15/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyLHCYLFRYDMLSEY-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82074034
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
1-(5-bromo-2-fluorophenyl)hex-4-yn-1-ol
CID 104809446
CID 87630182
CID 87630182
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol
CID 62774880
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol
CID 105113659
1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65147995
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol (CID 79743269) is 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol is CCN(CC)CCC(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol?
The InChIKey is LHCYLFRYDMLSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-3-16(4-2)8-7-13(17)11-9-10(14)5-6-12(11)15/h5-6,9,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol?
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol has a molecular weight of 304.20 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol is sourced from PubChem (CID 79743269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).