methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium

C10H15N2O2+ — CID 129044280

IUPACmethoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium
SMILESCNCc1ccc([N+](=O)OC)cc1C
InChIInChI=1S/C10H15N2O2/c1-8-6-10(12(13)14-3)5-4-9(8)7-11-2/h4-6,11H,7H2,1-3H3/q+1
InChIKeyLTUPWTBFBYRGDT-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.69
Rot. Bonds4

About methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium

methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium (PubChem CID 129044280) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium
PubChem CID129044280
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Namemethoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium
SMILESCNCc1ccc([N+](=O)OC)cc1C
InChIInChI=1S/C10H15N2O2/c1-8-6-10(12(13)14-3)5-4-9(8)7-11-2/h4-6,11H,7H2,1-3H3/q+1
InChIKeyLTUPWTBFBYRGDT-UHFFFAOYSA-N
XLogP1.69
TPSA41.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium?
The IUPAC name of methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium (CID 129044280) is methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium?
The canonical SMILES for methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium is CNCc1ccc([N+](=O)OC)cc1C.
What is the InChIKey of methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium?
The InChIKey is LTUPWTBFBYRGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O2/c1-8-6-10(12(13)14-3)5-4-9(8)7-11-2/h4-6,11H,7H2,1-3H3/q+1.
What are the key properties of methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium?
methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium has a molecular weight of 195.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[3-methyl-4-(methylaminomethyl)phenyl]-oxoazanium is sourced from PubChem (CID 129044280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).