(4-aminophenyl)-(3-cyclobutylphenyl)methanone

C17H17NO — CID 114607433

IUPAC(4-aminophenyl)-(3-cyclobutylphenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(C3CCC3)c2)cc1
InChIInChI=1S/C17H17NO/c18-16-9-7-13(8-10-16)17(19)15-6-2-5-14(11-15)12-3-1-4-12/h2,5-12H,1,3-4,18H2
InChIKeyQYQGDAIVDDTHCH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.77
Rot. Bonds3

About (4-aminophenyl)-(3-cyclobutylphenyl)methanone

(4-aminophenyl)-(3-cyclobutylphenyl)methanone (PubChem CID 114607433) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-aminophenyl)-(3-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-cyclobutylphenyl)methanone
PubChem CID114607433
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(4-aminophenyl)-(3-cyclobutylphenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(C3CCC3)c2)cc1
InChIInChI=1S/C17H17NO/c18-16-9-7-13(8-10-16)17(19)15-6-2-5-14(11-15)12-3-1-4-12/h2,5-12H,1,3-4,18H2
InChIKeyQYQGDAIVDDTHCH-UHFFFAOYSA-N
XLogP3.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-cyclobutylphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(3-cyclobutylphenyl)methanone (CID 114607433) is (4-aminophenyl)-(3-cyclobutylphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-cyclobutylphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-cyclobutylphenyl)methanone is Nc1ccc(C(=O)c2cccc(C3CCC3)c2)cc1.
What is the InChIKey of (4-aminophenyl)-(3-cyclobutylphenyl)methanone?
The InChIKey is QYQGDAIVDDTHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c18-16-9-7-13(8-10-16)17(19)15-6-2-5-14(11-15)12-3-1-4-12/h2,5-12H,1,3-4,18H2.
What are the key properties of (4-aminophenyl)-(3-cyclobutylphenyl)methanone?
(4-aminophenyl)-(3-cyclobutylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-cyclobutylphenyl)methanone is sourced from PubChem (CID 114607433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).