2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol

C10H15FN2O2 — CID 117305510

IUPAC2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)cc(CON)c1O
InChIInChI=1S/C10H15FN2O2/c1-13(2)5-7-3-9(11)4-8(6-15-12)10(7)14/h3-4,14H,5-6,12H2,1-2H3
InChIKeyGNRCPWUFXUDJDW-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.98
Rot. Bonds4

About 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol

2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol (PubChem CID 117305510) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
PubChem CID117305510
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)cc(CON)c1O
InChIInChI=1S/C10H15FN2O2/c1-13(2)5-7-3-9(11)4-8(6-15-12)10(7)14/h3-4,14H,5-6,12H2,1-2H3
InChIKeyGNRCPWUFXUDJDW-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117328956
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
CID 83484910
6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol
CID 117300664
2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 117323632
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117420244
2-(aminooxymethyl)-4-fluorophenol
CID 117276071
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
2,4-diamino-6-[(dimethylamino)methyl]phenol
CID 123247058

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol (CID 117305510) is 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol is CN(C)Cc1cc(F)cc(CON)c1O.
What is the InChIKey of 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
The InChIKey is GNRCPWUFXUDJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-13(2)5-7-3-9(11)4-8(6-15-12)10(7)14/h3-4,14H,5-6,12H2,1-2H3.
What are the key properties of 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol has a molecular weight of 214.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 117305510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).