methoxy-dimethyl-phenylazanium

C9H14NO+ — CID 21248594

IUPACmethoxy-dimethyl-phenylazanium
SMILESCO[N+](C)(C)c1ccccc1
InChIInChI=1S/C9H14NO/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyJQXBBPWFHOXTRG-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.81
Rot. Bonds2

About methoxy-dimethyl-phenylazanium

methoxy-dimethyl-phenylazanium (PubChem CID 21248594) has the molecular formula C9H14NO+ and a molecular weight of 152.22 g/mol. Its IUPAC name is methoxy-dimethyl-phenylazanium.

Molecular Properties

Compound Namemethoxy-dimethyl-phenylazanium
PubChem CID21248594
Molecular FormulaC9H14NO+
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Namemethoxy-dimethyl-phenylazanium
SMILESCO[N+](C)(C)c1ccccc1
InChIInChI=1S/C9H14NO/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyJQXBBPWFHOXTRG-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-phenylazanium?
The IUPAC name of methoxy-dimethyl-phenylazanium (CID 21248594) is methoxy-dimethyl-phenylazanium.
What is the SMILES notation for methoxy-dimethyl-phenylazanium?
The canonical SMILES for methoxy-dimethyl-phenylazanium is CO[N+](C)(C)c1ccccc1.
What is the InChIKey of methoxy-dimethyl-phenylazanium?
The InChIKey is JQXBBPWFHOXTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1.
What are the key properties of methoxy-dimethyl-phenylazanium?
methoxy-dimethyl-phenylazanium has a molecular weight of 152.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-phenylazanium is sourced from PubChem (CID 21248594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).