1-(4-aminophenyl)ethanone;hydrochloride

C8H10ClNO — CID 23333831

IUPAC1-(4-aminophenyl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-5H,9H2,1H3;1H
InChIKeyLCYIZBVMHJGJGP-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.89
Rot. Bonds1

About 1-(4-aminophenyl)ethanone;hydrochloride

1-(4-aminophenyl)ethanone;hydrochloride (PubChem CID 23333831) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(4-aminophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)ethanone;hydrochloride
PubChem CID23333831
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(4-aminophenyl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-5H,9H2,1H3;1H
InChIKeyLCYIZBVMHJGJGP-UHFFFAOYSA-N
XLogP1.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)ethanone;hydrochloride 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-(4-aminophenyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)ethanone;hydrochloride (CID 23333831) is 1-(4-aminophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)ethanone;hydrochloride is CC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 1-(4-aminophenyl)ethanone;hydrochloride?
The InChIKey is LCYIZBVMHJGJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-5H,9H2,1H3;1H.
What are the key properties of 1-(4-aminophenyl)ethanone;hydrochloride?
1-(4-aminophenyl)ethanone;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)ethanone;hydrochloride is sourced from PubChem (CID 23333831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).