2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol

C16H24FNO2 — CID 102988099

IUPAC2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COc1cc(F)ccc1C)C1CC1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-16(10-19,13-5-6-13)11-20-15-9-14(17)7-4-12(15)2/h4,7,9,13,18-19H,3,5-6,8,10-11H2,1-2H3
InChIKeyJQTHSPRAADNUAN-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.65
Rot. Bonds8

About 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol (PubChem CID 102988099) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
PubChem CID102988099
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COc1cc(F)ccc1C)C1CC1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-16(10-19,13-5-6-13)11-20-15-9-14(17)7-4-12(15)2/h4,7,9,13,18-19H,3,5-6,8,10-11H2,1-2H3
InChIKeyJQTHSPRAADNUAN-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol (CID 102988099) is 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol is CCCNC(CO)(COc1cc(F)ccc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol?
The InChIKey is JQTHSPRAADNUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-8-18-16(10-19,13-5-6-13)11-20-15-9-14(17)7-4-12(15)2/h4,7,9,13,18-19H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 102988099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).