[4-(2-methoxyethoxy)phenyl]-methylidyneazanium

C10H12NO2+ — CID 177451533

IUPAC[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
SMILESC#[N+]c1ccc(OCCOC)cc1
InChIInChI=1S/C10H12NO2/c1-11-9-3-5-10(6-4-9)13-8-7-12-2/h1,3-6H,7-8H2,2H3/q+1
InChIKeyLNVVRKDMGSGOIJ-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.31
Rot. Bonds4

About [4-(2-methoxyethoxy)phenyl]-methylidyneazanium

[4-(2-methoxyethoxy)phenyl]-methylidyneazanium (PubChem CID 177451533) has the molecular formula C10H12NO2+ and a molecular weight of 178.21 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)phenyl]-methylidyneazanium.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
PubChem CID177451533
Molecular FormulaC10H12NO2+
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
SMILESC#[N+]c1ccc(OCCOC)cc1
InChIInChI=1S/C10H12NO2/c1-11-9-3-5-10(6-4-9)13-8-7-12-2/h1,3-6H,7-8H2,2H3/q+1
InChIKeyLNVVRKDMGSGOIJ-UHFFFAOYSA-N
XLogP2.31
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)phenyl]-methylidyneazanium?
The IUPAC name of [4-(2-methoxyethoxy)phenyl]-methylidyneazanium (CID 177451533) is [4-(2-methoxyethoxy)phenyl]-methylidyneazanium.
What is the SMILES notation for [4-(2-methoxyethoxy)phenyl]-methylidyneazanium?
The canonical SMILES for [4-(2-methoxyethoxy)phenyl]-methylidyneazanium is C#[N+]c1ccc(OCCOC)cc1.
What is the InChIKey of [4-(2-methoxyethoxy)phenyl]-methylidyneazanium?
The InChIKey is LNVVRKDMGSGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO2/c1-11-9-3-5-10(6-4-9)13-8-7-12-2/h1,3-6H,7-8H2,2H3/q+1.
What are the key properties of [4-(2-methoxyethoxy)phenyl]-methylidyneazanium?
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium has a molecular weight of 178.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)phenyl]-methylidyneazanium is sourced from PubChem (CID 177451533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).