2-fluoro-6-[(phenylmethoxyamino)methyl]phenol

C14H14FNO2 — CID 82622904

IUPAC2-fluoro-6-[(phenylmethoxyamino)methyl]phenol
SMILESOc1c(F)cccc1CNOCc1ccccc1
InChIInChI=1S/C14H14FNO2/c15-13-8-4-7-12(14(13)17)9-16-18-10-11-5-2-1-3-6-11/h1-8,16-17H,9-10H2
InChIKeyCVTZHLQHYATXIY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.75
Rot. Bonds5

About 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol

2-fluoro-6-[(phenylmethoxyamino)methyl]phenol (PubChem CID 82622904) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(phenylmethoxyamino)methyl]phenol
PubChem CID82622904
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-fluoro-6-[(phenylmethoxyamino)methyl]phenol
SMILESOc1c(F)cccc1CNOCc1ccccc1
InChIInChI=1S/C14H14FNO2/c15-13-8-4-7-12(14(13)17)9-16-18-10-11-5-2-1-3-6-11/h1-8,16-17H,9-10H2
InChIKeyCVTZHLQHYATXIY-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(phenylmethoxyamino)methyl]phenol
CID 82622246
4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
CID 64974498
2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
1-(3-bromo-4-fluorophenyl)-N-phenylmethoxymethanamine
CID 64974568
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
2-fluoro-6-[(2-phenylsulfanylethylamino)methyl]phenol
CID 112606611
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
CID 115951224
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide
CID 55706094
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol (CID 82622904) is 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol is Oc1c(F)cccc1CNOCc1ccccc1.
What is the InChIKey of 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol?
The InChIKey is CVTZHLQHYATXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-13-8-4-7-12(14(13)17)9-16-18-10-11-5-2-1-3-6-11/h1-8,16-17H,9-10H2.
What are the key properties of 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol?
2-fluoro-6-[(phenylmethoxyamino)methyl]phenol has a molecular weight of 247.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(phenylmethoxyamino)methyl]phenol is sourced from PubChem (CID 82622904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).