2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol

C20H18FNOS — CID 69009203

IUPAC2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
SMILESCc1ccc(Sc2ccccc2CNc2cccc(F)c2O)cc1
InChIInChI=1S/C20H18FNOS/c1-14-9-11-16(12-10-14)24-19-8-3-2-5-15(19)13-22-18-7-4-6-17(21)20(18)23/h2-12,22-23H,13H2,1H3
InChIKeyKMCAQWZIXQWVEX-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.60
Rot. Bonds5

About 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol

2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol (PubChem CID 69009203) has the molecular formula C20H18FNOS and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
PubChem CID69009203
Molecular FormulaC20H18FNOS
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC Name2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
SMILESCc1ccc(Sc2ccccc2CNc2cccc(F)c2O)cc1
InChIInChI=1S/C20H18FNOS/c1-14-9-11-16(12-10-14)24-19-8-3-2-5-15(19)13-22-18-7-4-6-17(21)20(18)23/h2-12,22-23H,13H2,1H3
InChIKeyKMCAQWZIXQWVEX-UHFFFAOYSA-N
XLogP5.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(3-fluoro-2-hydroxyanilino)methyl]phenyl]sulfanylphenyl]acetamide
CID 69011245
2-[[2-(2-chlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol;2-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol;2-[[2-(3,4-dichlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol
CID 161445343
2,6-dibromo-4-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
CID 69012309
4-bromo-2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol
CID 58828939
N-[4-[2-[(3,4-difluoro-2-hydroxyanilino)methyl]phenyl]sulfanylphenyl]acetamide
CID 69013689
1-[5-chloro-2-hydroxy-3-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenyl]-2-iodoethanone
CID 173221471
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
3-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-hydroxybenzoic acid;2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]-4-nitrophenol;2-fluoro-4-nitro-6-[(2-phenylsulfanylphenyl)methylamino]phenol
CID 159306966
2-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-6-(hydroxymethyl)phenol
CID 69008982
2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol
CID 142879648
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
CID 114258304

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol?
The IUPAC name of 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol (CID 69009203) is 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol.
What is the SMILES notation for 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol?
The canonical SMILES for 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol is Cc1ccc(Sc2ccccc2CNc2cccc(F)c2O)cc1.
What is the InChIKey of 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol?
The InChIKey is KMCAQWZIXQWVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS/c1-14-9-11-16(12-10-14)24-19-8-3-2-5-15(19)13-22-18-7-4-6-17(21)20(18)23/h2-12,22-23H,13H2,1H3.
What are the key properties of 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol?
2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol has a molecular weight of 339.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol is sourced from PubChem (CID 69009203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).