2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone

C18H19NO — CID 116549633

IUPAC2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone
SMILESNc1ccc(CC(=O)c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C18H19NO/c19-17-10-4-13(5-11-17)12-18(20)16-8-6-15(7-9-16)14-2-1-3-14/h4-11,14H,1-3,12,19H2
InChIKeyTUNKTESDNUJHKB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone

2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone (PubChem CID 116549633) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone
PubChem CID116549633
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone
SMILESNc1ccc(CC(=O)c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C18H19NO/c19-17-10-4-13(5-11-17)12-18(20)16-8-6-15(7-9-16)14-2-1-3-14/h4-11,14H,1-3,12,19H2
InChIKeyTUNKTESDNUJHKB-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone (CID 116549633) is 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone is Nc1ccc(CC(=O)c2ccc(C3CCC3)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone?
The InChIKey is TUNKTESDNUJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-17-10-4-13(5-11-17)12-18(20)16-8-6-15(7-9-16)14-2-1-3-14/h4-11,14H,1-3,12,19H2.
What are the key properties of 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone?
2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone is sourced from PubChem (CID 116549633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).