5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol

C15H24FNO2 — CID 64802067

IUPAC5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCOc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-10-17-15(2,12-18)9-6-11-19-14-8-5-4-7-13(14)16/h4-5,7-8,17-18H,3,6,9-12H2,1-2H3
InChIKeyOKZATBJDRWBIMU-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.74
Rot. Bonds9

About 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol

5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64802067) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64802067
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCOc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-10-17-15(2,12-18)9-6-11-19-14-8-5-4-7-13(14)16/h4-5,7-8,17-18H,3,6,9-12H2,1-2H3
InChIKeyOKZATBJDRWBIMU-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol (CID 64802067) is 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCOc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is OKZATBJDRWBIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-10-17-15(2,12-18)9-6-11-19-14-8-5-4-7-13(14)16/h4-5,7-8,17-18H,3,6,9-12H2,1-2H3.
What are the key properties of 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol?
5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64802067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).