[1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride

C8H10Cl2N2O — CID 172855781

IUPAC[1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride
SMILESNC(=[NH2+])C(O)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C8H9ClN2O.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7,12H,(H3,10,11);1H
InChIKeyYRLLMEKKLQWXME-UHFFFAOYSA-N
MW221.09 g/mol
LogP-3.51
Rot. Bonds2

About [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride

[1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride (PubChem CID 172855781) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride.

Molecular Properties

Compound Name[1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride
PubChem CID172855781
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name[1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride
SMILESNC(=[NH2+])C(O)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C8H9ClN2O.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7,12H,(H3,10,11);1H
InChIKeyYRLLMEKKLQWXME-UHFFFAOYSA-N
XLogP-3.51
TPSA71.84 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 5-3.51
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride?
The IUPAC name of [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride (CID 172855781) is [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride.
What is the SMILES notation for [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride?
The canonical SMILES for [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride is NC(=[NH2+])C(O)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride?
The InChIKey is YRLLMEKKLQWXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7,12H,(H3,10,11);1H.
What are the key properties of [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride?
[1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride has a molecular weight of 221.09 g/mol, XLogP of -3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride is sourced from PubChem (CID 172855781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).