1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol

C13H20FNO2 — CID 66792452

IUPAC1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol
SMILESCC(O)COc1cccc(F)c1CC(C)CN
InChIInChI=1S/C13H20FNO2/c1-9(7-15)6-11-12(14)4-3-5-13(11)17-8-10(2)16/h3-5,9-10,16H,6-8,15H2,1-2H3
InChIKeyJFBKSQVZYRDOFB-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol

1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol (PubChem CID 66792452) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol
PubChem CID66792452
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol
SMILESCC(O)COc1cccc(F)c1CC(C)CN
InChIInChI=1S/C13H20FNO2/c1-9(7-15)6-11-12(14)4-3-5-13(11)17-8-10(2)16/h3-5,9-10,16H,6-8,15H2,1-2H3
InChIKeyJFBKSQVZYRDOFB-UHFFFAOYSA-N
XLogP1.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol?
The IUPAC name of 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol (CID 66792452) is 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol is CC(O)COc1cccc(F)c1CC(C)CN.
What is the InChIKey of 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol?
The InChIKey is JFBKSQVZYRDOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(7-15)6-11-12(14)4-3-5-13(11)17-8-10(2)16/h3-5,9-10,16H,6-8,15H2,1-2H3.
What are the key properties of 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol?
1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-2-methylpropyl)-3-fluorophenoxy]propan-2-ol is sourced from PubChem (CID 66792452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).