5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol

C12H18FNO2 — CID 82719895

IUPAC5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
SMILESCC(NOC(C)(C)C)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2/c1-8(14-16-12(2,3)4)10-6-5-9(13)7-11(10)15/h5-8,14-15H,1-4H3
InChIKeyBHSBAGZGBNBFFP-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.91
Rot. Bonds3

About 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol

5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol (PubChem CID 82719895) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
PubChem CID82719895
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
SMILESCC(NOC(C)(C)C)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2/c1-8(14-16-12(2,3)4)10-6-5-9(13)7-11(10)15/h5-8,14-15H,1-4H3
InChIKeyBHSBAGZGBNBFFP-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720284
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol (CID 82719895) is 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol is CC(NOC(C)(C)C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol?
The InChIKey is BHSBAGZGBNBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(14-16-12(2,3)4)10-6-5-9(13)7-11(10)15/h5-8,14-15H,1-4H3.
What are the key properties of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol?
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol has a molecular weight of 227.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol is sourced from PubChem (CID 82719895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).