2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol

C19H16FNO2 — CID 69011029

IUPAC2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1F
InChIInChI=1S/C19H16FNO2/c20-18-12-15(9-10-19(18)22)21-13-14-5-4-8-17(11-14)23-16-6-2-1-3-7-16/h1-12,21-22H,13H2
InChIKeyYFQKKBHPQBBJNU-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.94
Rot. Bonds5

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

2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol (PubChem CID 69011029) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
PubChem CID69011029
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1F
InChIInChI=1S/C19H16FNO2/c20-18-12-15(9-10-19(18)22)21-13-14-5-4-8-17(11-14)23-16-6-2-1-3-7-16/h1-12,21-22H,13H2
InChIKeyYFQKKBHPQBBJNU-UHFFFAOYSA-N
XLogP4.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile
CID 58685862
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045424
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-phenoxyaniline
CID 141060077
N-benzyl-3,4-difluoroaniline
CID 21321396
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide
CID 166384915
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol (CID 69011029) is 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol is Oc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol?
The InChIKey is YFQKKBHPQBBJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-18-12-15(9-10-19(18)22)21-13-14-5-4-8-17(11-14)23-16-6-2-1-3-7-16/h1-12,21-22H,13H2.
What are the key properties of 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol?
2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol has a molecular weight of 309.34 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol is sourced from PubChem (CID 69011029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).