2-(3-amino-4-phenylphenyl)cyclohexan-1-one

C18H19NO — CID 67819816

IUPAC2-(3-amino-4-phenylphenyl)cyclohexan-1-one
SMILESNc1cc(C2CCCCC2=O)ccc1-c1ccccc1
InChIInChI=1S/C18H19NO/c19-17-12-14(16-8-4-5-9-18(16)20)10-11-15(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,16H,4-5,8-9,19H2
InChIKeyRUDPPYQFVLLIKO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-amino-4-phenylphenyl)cyclohexan-1-one

2-(3-amino-4-phenylphenyl)cyclohexan-1-one (PubChem CID 67819816) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-amino-4-phenylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-amino-4-phenylphenyl)cyclohexan-1-one
PubChem CID67819816
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(3-amino-4-phenylphenyl)cyclohexan-1-one
SMILESNc1cc(C2CCCCC2=O)ccc1-c1ccccc1
InChIInChI=1S/C18H19NO/c19-17-12-14(16-8-4-5-9-18(16)20)10-11-15(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,16H,4-5,8-9,19H2
InChIKeyRUDPPYQFVLLIKO-UHFFFAOYSA-N
XLogP4.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
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 2-(3-amino-4-phenylphenyl)cyclohexan-1-one?
The IUPAC name of 2-(3-amino-4-phenylphenyl)cyclohexan-1-one (CID 67819816) is 2-(3-amino-4-phenylphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-amino-4-phenylphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(3-amino-4-phenylphenyl)cyclohexan-1-one is Nc1cc(C2CCCCC2=O)ccc1-c1ccccc1.
What is the InChIKey of 2-(3-amino-4-phenylphenyl)cyclohexan-1-one?
The InChIKey is RUDPPYQFVLLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-17-12-14(16-8-4-5-9-18(16)20)10-11-15(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,16H,4-5,8-9,19H2.
What are the key properties of 2-(3-amino-4-phenylphenyl)cyclohexan-1-one?
2-(3-amino-4-phenylphenyl)cyclohexan-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-phenylphenyl)cyclohexan-1-one is sourced from PubChem (CID 67819816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).