3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol

C15H18FNO2 — CID 79083879

IUPAC3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccccc2F)o1
InChIInChI=1S/C15H18FNO2/c1-2-10-7-8-14(19-10)15(18)12(9-17)11-5-3-4-6-13(11)16/h3-8,12,15,18H,2,9,17H2,1H3
InChIKeyXQUFHTUQIYUBRO-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol

3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 79083879) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID79083879
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccccc2F)o1
InChIInChI=1S/C15H18FNO2/c1-2-10-7-8-14(19-10)15(18)12(9-17)11-5-3-4-6-13(11)16/h3-8,12,15,18H,2,9,17H2,1H3
InChIKeyXQUFHTUQIYUBRO-UHFFFAOYSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol (CID 79083879) is 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol is CCc1ccc(C(O)C(CN)c2ccccc2F)o1.
What is the InChIKey of 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is XQUFHTUQIYUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-10-7-8-14(19-10)15(18)12(9-17)11-5-3-4-6-13(11)16/h3-8,12,15,18H,2,9,17H2,1H3.
What are the key properties of 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 263.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).