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

C11H17FN2O2 — CID 117328956

IUPAC2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)cc(CCON)c1O
InChIInChI=1S/C11H17FN2O2/c1-14(2)7-9-6-10(12)5-8(11(9)15)3-4-16-13/h5-6,15H,3-4,7,13H2,1-2H3
InChIKeyWEGHZWIXWGBUTJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.03
Rot. Bonds5

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

2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol (PubChem CID 117328956) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
PubChem CID117328956
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)cc(CCON)c1O
InChIInChI=1S/C11H17FN2O2/c1-14(2)7-9-6-10(12)5-8(11(9)15)3-4-16-13/h5-6,15H,3-4,7,13H2,1-2H3
InChIKeyWEGHZWIXWGBUTJ-UHFFFAOYSA-N
XLogP1.03
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.03
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-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117305510
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
CID 83484910
2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 117323632
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117420244
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
7-(2-aminooxyethyl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117329912
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol (CID 117328956) is 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol is CN(C)Cc1cc(F)cc(CCON)c1O.
What is the InChIKey of 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
The InChIKey is WEGHZWIXWGBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-14(2)7-9-6-10(12)5-8(11(9)15)3-4-16-13/h5-6,15H,3-4,7,13H2,1-2H3.
What are the key properties of 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol?
2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol has a molecular weight of 228.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 117328956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).