3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol

C19H15F2NO — CID 89445052

IUPAC3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol
SMILESOc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1
InChIInChI=1S/C19H15F2NO/c20-16-4-1-3-13(10-16)14-7-8-19(21)15(9-14)12-22-17-5-2-6-18(23)11-17/h1-11,22-23H,12H2
InChIKeySDMHAFSPDAUUKE-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.95
Rot. Bonds4

About 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol

3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol (PubChem CID 89445052) has the molecular formula C19H15F2NO and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol.

Molecular Properties

Compound Name3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol
PubChem CID89445052
Molecular FormulaC19H15F2NO
Molecular Weight311.33 g/mol
Exact Mass311.11
IUPAC Name3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol
SMILESOc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1
InChIInChI=1S/C19H15F2NO/c20-16-4-1-3-13(10-16)14-7-8-19(21)15(9-14)12-22-17-5-2-6-18(23)11-17/h1-11,22-23H,12H2
InChIKeySDMHAFSPDAUUKE-UHFFFAOYSA-N
XLogP4.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol?
The IUPAC name of 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol (CID 89445052) is 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol.
What is the SMILES notation for 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol?
The canonical SMILES for 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol is Oc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1.
What is the InChIKey of 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol?
The InChIKey is SDMHAFSPDAUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO/c20-16-4-1-3-13(10-16)14-7-8-19(21)15(9-14)12-22-17-5-2-6-18(23)11-17/h1-11,22-23H,12H2.
What are the key properties of 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol?
3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol has a molecular weight of 311.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenol is sourced from PubChem (CID 89445052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).