3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol

C16H19BrFNO2 — CID 86806738

IUPAC3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol
SMILESCC(CC(O)c1ccc(F)cc1)NC(C)c1ccc(Br)o1
InChIInChI=1S/C16H19BrFNO2/c1-10(19-11(2)15-7-8-16(17)21-15)9-14(20)12-3-5-13(18)6-4-12/h3-8,10-11,14,19-20H,9H2,1-2H3
InChIKeyWQHDLIQVBITBPF-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.34
Rot. Bonds6

About 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol

3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol (PubChem CID 86806738) has the molecular formula C16H19BrFNO2 and a molecular weight of 356.24 g/mol. Its IUPAC name is 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol
PubChem CID86806738
Molecular FormulaC16H19BrFNO2
Molecular Weight356.24 g/mol
Exact Mass355.06
IUPAC Name3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol
SMILESCC(CC(O)c1ccc(F)cc1)NC(C)c1ccc(Br)o1
InChIInChI=1S/C16H19BrFNO2/c1-10(19-11(2)15-7-8-16(17)21-15)9-14(20)12-3-5-13(18)6-4-12/h3-8,10-11,14,19-20H,9H2,1-2H3
InChIKeyWQHDLIQVBITBPF-UHFFFAOYSA-N
XLogP4.34
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol (CID 86806738) is 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol is CC(CC(O)c1ccc(F)cc1)NC(C)c1ccc(Br)o1.
What is the InChIKey of 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is WQHDLIQVBITBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO2/c1-10(19-11(2)15-7-8-16(17)21-15)9-14(20)12-3-5-13(18)6-4-12/h3-8,10-11,14,19-20H,9H2,1-2H3.
What are the key properties of 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol?
3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 356.24 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 86806738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).