anilino-(2-methoxyphenyl)-oxoazanium

C13H13N2O2+ — CID 122385932

IUPACanilino-(2-methoxyphenyl)-oxoazanium
SMILESCOc1ccccc1[N+](=O)Nc1ccccc1
InChIInChI=1S/C13H13N2O2/c1-17-13-10-6-5-9-12(13)15(16)14-11-7-3-2-4-8-11/h2-10H,1H3,(H,14,16)/q+1
InChIKeyPHJRTUHNSYKKCM-UHFFFAOYSA-N
MW229.26 g/mol
LogP3.13
Rot. Bonds4

About anilino-(2-methoxyphenyl)-oxoazanium

anilino-(2-methoxyphenyl)-oxoazanium (PubChem CID 122385932) has the molecular formula C13H13N2O2+ and a molecular weight of 229.26 g/mol. Its IUPAC name is anilino-(2-methoxyphenyl)-oxoazanium.

Molecular Properties

Compound Nameanilino-(2-methoxyphenyl)-oxoazanium
PubChem CID122385932
Molecular FormulaC13H13N2O2+
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Nameanilino-(2-methoxyphenyl)-oxoazanium
SMILESCOc1ccccc1[N+](=O)Nc1ccccc1
InChIInChI=1S/C13H13N2O2/c1-17-13-10-6-5-9-12(13)15(16)14-11-7-3-2-4-8-11/h2-10H,1H3,(H,14,16)/q+1
InChIKeyPHJRTUHNSYKKCM-UHFFFAOYSA-N
XLogP3.13
TPSA41.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze anilino-(2-methoxyphenyl)-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-phenylaniline
CID 10910514
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
anilino-oxo-pyridin-1-ium-4-ylazanium
CID 102418364
2-methoxyphenol;oxalic acid
CID 162319729
N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline
CID 15365634
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
methanesulfonic acid;2-methoxyphenol
CID 71332079
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893

Frequently Asked Questions

What is the IUPAC name of anilino-(2-methoxyphenyl)-oxoazanium?
The IUPAC name of anilino-(2-methoxyphenyl)-oxoazanium (CID 122385932) is anilino-(2-methoxyphenyl)-oxoazanium.
What is the SMILES notation for anilino-(2-methoxyphenyl)-oxoazanium?
The canonical SMILES for anilino-(2-methoxyphenyl)-oxoazanium is COc1ccccc1[N+](=O)Nc1ccccc1.
What is the InChIKey of anilino-(2-methoxyphenyl)-oxoazanium?
The InChIKey is PHJRTUHNSYKKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O2/c1-17-13-10-6-5-9-12(13)15(16)14-11-7-3-2-4-8-11/h2-10H,1H3,(H,14,16)/q+1.
What are the key properties of anilino-(2-methoxyphenyl)-oxoazanium?
anilino-(2-methoxyphenyl)-oxoazanium has a molecular weight of 229.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anilino-(2-methoxyphenyl)-oxoazanium is sourced from PubChem (CID 122385932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).