1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol

C15H12FNO — CID 164678579

IUPAC1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C15H12FNO/c1-2-15(18,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h1,3-10,18H,17H2
InChIKeyGJQFEUXIAYHMPS-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.28
Rot. Bonds2

About 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol

1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol (PubChem CID 164678579) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
PubChem CID164678579
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C15H12FNO/c1-2-15(18,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h1,3-10,18H,17H2
InChIKeyGJQFEUXIAYHMPS-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol (CID 164678579) is 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(F)cc1)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol?
The InChIKey is GJQFEUXIAYHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-2-15(18,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h1,3-10,18H,17H2.
What are the key properties of 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol?
1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol has a molecular weight of 241.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 164678579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).