4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol

C17H20FNO — CID 57153727

IUPAC4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
SMILESCC(O)(CCNCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-17(20,15-8-3-2-4-9-15)11-12-19-13-14-7-5-6-10-16(14)18/h2-10,19-20H,11-13H2,1H3
InChIKeyWYCYVEMZOZWYDG-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.21
Rot. Bonds6

About 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol

4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol (PubChem CID 57153727) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
PubChem CID57153727
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
SMILESCC(O)(CCNCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-17(20,15-8-3-2-4-9-15)11-12-19-13-14-7-5-6-10-16(14)18/h2-10,19-20H,11-13H2,1H3
InChIKeyWYCYVEMZOZWYDG-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol (CID 57153727) is 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol is CC(O)(CCNCc1ccccc1F)c1ccccc1.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol?
The InChIKey is WYCYVEMZOZWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-17(20,15-8-3-2-4-9-15)11-12-19-13-14-7-5-6-10-16(14)18/h2-10,19-20H,11-13H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol?
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol has a molecular weight of 273.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol is sourced from PubChem (CID 57153727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).