(1-amino-2-hydroxy-2-phenylethylidene)azanium chloride

C8H11ClN2O — CID 135502800

IUPAC(1-amino-2-hydroxy-2-phenylethylidene)azanium chloride
SMILESNC(=[NH2+])C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C8H10N2O.ClH/c9-8(10)7(11)6-4-2-1-3-5-6;/h1-5,7,11H,(H3,9,10);1H
InChIKeyAUXYGXCTLPHWNK-UHFFFAOYSA-N
MW186.64 g/mol
LogP-4.16
Rot. Bonds2

About (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride

(1-amino-2-hydroxy-2-phenylethylidene)azanium chloride (PubChem CID 135502800) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride.

Molecular Properties

Compound Name(1-amino-2-hydroxy-2-phenylethylidene)azanium chloride
PubChem CID135502800
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(1-amino-2-hydroxy-2-phenylethylidene)azanium chloride
SMILESNC(=[NH2+])C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C8H10N2O.ClH/c9-8(10)7(11)6-4-2-1-3-5-6;/h1-5,7,11H,(H3,9,10);1H
InChIKeyAUXYGXCTLPHWNK-UHFFFAOYSA-N
XLogP-4.16
TPSA71.84 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 5-4.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride?
The IUPAC name of (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride (CID 135502800) is (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride.
What is the SMILES notation for (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride?
The canonical SMILES for (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride is NC(=[NH2+])C(O)c1ccccc1.[Cl-].
What is the InChIKey of (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride?
The InChIKey is AUXYGXCTLPHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c9-8(10)7(11)6-4-2-1-3-5-6;/h1-5,7,11H,(H3,9,10);1H.
What are the key properties of (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride?
(1-amino-2-hydroxy-2-phenylethylidene)azanium chloride has a molecular weight of 186.64 g/mol, XLogP of -4.16, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-hydroxy-2-phenylethylidene)azanium chloride is sourced from PubChem (CID 135502800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).