(2-aminophenyl)-diethyl-hydroxyazanium

C10H17N2O+ — CID 19767043

IUPAC(2-aminophenyl)-diethyl-hydroxyazanium
SMILESCC[N+](O)(CC)c1ccccc1N
InChIInChI=1S/C10H17N2O/c1-3-12(13,4-2)10-8-6-5-7-9(10)11/h5-8,13H,3-4,11H2,1-2H3/q+1
InChIKeyKPCWNQYZPXNAST-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.01
Rot. Bonds3

About (2-aminophenyl)-diethyl-hydroxyazanium

(2-aminophenyl)-diethyl-hydroxyazanium (PubChem CID 19767043) has the molecular formula C10H17N2O+ and a molecular weight of 181.26 g/mol. Its IUPAC name is (2-aminophenyl)-diethyl-hydroxyazanium.

Molecular Properties

Compound Name(2-aminophenyl)-diethyl-hydroxyazanium
PubChem CID19767043
Molecular FormulaC10H17N2O+
Molecular Weight181.26 g/mol
Exact Mass181.13
IUPAC Name(2-aminophenyl)-diethyl-hydroxyazanium
SMILESCC[N+](O)(CC)c1ccccc1N
InChIInChI=1S/C10H17N2O/c1-3-12(13,4-2)10-8-6-5-7-9(10)11/h5-8,13H,3-4,11H2,1-2H3/q+1
InChIKeyKPCWNQYZPXNAST-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-aminophenyl)-diethyl-hydroxyazanium 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

diethyl-hydroxy-phenylazanium
CID 132988834
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389
2-aminophenol;ethane;methane
CID 158189798
benzene-1,2-diamine;propanoic acid
CID 158630762
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
bis(2-methylaniline);propane
CID 158079245
2-aminobenzoic acid;propanoic acid
CID 67067565
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-diethyl-hydroxyazanium?
The IUPAC name of (2-aminophenyl)-diethyl-hydroxyazanium (CID 19767043) is (2-aminophenyl)-diethyl-hydroxyazanium.
What is the SMILES notation for (2-aminophenyl)-diethyl-hydroxyazanium?
The canonical SMILES for (2-aminophenyl)-diethyl-hydroxyazanium is CC[N+](O)(CC)c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-diethyl-hydroxyazanium?
The InChIKey is KPCWNQYZPXNAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O/c1-3-12(13,4-2)10-8-6-5-7-9(10)11/h5-8,13H,3-4,11H2,1-2H3/q+1.
What are the key properties of (2-aminophenyl)-diethyl-hydroxyazanium?
(2-aminophenyl)-diethyl-hydroxyazanium has a molecular weight of 181.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-diethyl-hydroxyazanium is sourced from PubChem (CID 19767043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).