4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol

C17H14FNOS — CID 61103429

IUPAC4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(F)c(-c3cccs3)c2)cc1
InChIInChI=1S/C17H14FNOS/c18-16-8-3-12(10-15(16)17-2-1-9-21-17)11-19-13-4-6-14(20)7-5-13/h1-10,19-20H,11H2
InChIKeyAPRZCMWSNKFHQK-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.87
Rot. Bonds4

About 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol

4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol (PubChem CID 61103429) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
PubChem CID61103429
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(F)c(-c3cccs3)c2)cc1
InChIInChI=1S/C17H14FNOS/c18-16-8-3-12(10-15(16)17-2-1-9-21-17)11-19-13-4-6-14(20)7-5-13/h1-10,19-20H,11H2
InChIKeyAPRZCMWSNKFHQK-UHFFFAOYSA-N
XLogP4.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol?
The IUPAC name of 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol (CID 61103429) is 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol?
The canonical SMILES for 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol is Oc1ccc(NCc2ccc(F)c(-c3cccs3)c2)cc1.
What is the InChIKey of 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol?
The InChIKey is APRZCMWSNKFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c18-16-8-3-12(10-15(16)17-2-1-9-21-17)11-19-13-4-6-14(20)7-5-13/h1-10,19-20H,11H2.
What are the key properties of 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol?
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol has a molecular weight of 299.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol is sourced from PubChem (CID 61103429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).