6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol

C11H18N2O2 — CID 117300664

IUPAC6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol
SMILESCc1ccc(CON)c(O)c1CN(C)C
InChIInChI=1S/C11H18N2O2/c1-8-4-5-9(7-15-12)11(14)10(8)6-13(2)3/h4-5,14H,6-7,12H2,1-3H3
InChIKeyREUWFWSBZDOFFZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.15
Rot. Bonds4

About 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol

6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol (PubChem CID 117300664) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol.

Molecular Properties

Compound Name6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol
PubChem CID117300664
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol
SMILESCc1ccc(CON)c(O)c1CN(C)C
InChIInChI=1S/C11H18N2O2/c1-8-4-5-9(7-15-12)11(14)10(8)6-13(2)3/h4-5,14H,6-7,12H2,1-3H3
InChIKeyREUWFWSBZDOFFZ-UHFFFAOYSA-N
XLogP1.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol?
The IUPAC name of 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol (CID 117300664) is 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol.
What is the SMILES notation for 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol?
The canonical SMILES for 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol is Cc1ccc(CON)c(O)c1CN(C)C.
What is the InChIKey of 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol?
The InChIKey is REUWFWSBZDOFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-4-5-9(7-15-12)11(14)10(8)6-13(2)3/h4-5,14H,6-7,12H2,1-3H3.
What are the key properties of 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol?
6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol has a molecular weight of 210.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminooxymethyl)-2-[(dimethylamino)methyl]-3-methylphenol is sourced from PubChem (CID 117300664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).