2-(4-aminophenyl)-1-cyclohexylethanone

C14H19NO — CID 116549419

IUPAC2-(4-aminophenyl)-1-cyclohexylethanone
SMILESNc1ccc(CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H19NO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12H,1-5,10,15H2
InChIKeyDKMNIKJKCLHBEQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-aminophenyl)-1-cyclohexylethanone

2-(4-aminophenyl)-1-cyclohexylethanone (PubChem CID 116549419) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-cyclohexylethanone
PubChem CID116549419
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(4-aminophenyl)-1-cyclohexylethanone
SMILESNc1ccc(CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H19NO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12H,1-5,10,15H2
InChIKeyDKMNIKJKCLHBEQ-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
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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Related Compounds

2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
1-cyclooctyl-2-naphthalen-2-ylethanone
CID 65018574
cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-cyclohexylethanone?
The IUPAC name of 2-(4-aminophenyl)-1-cyclohexylethanone (CID 116549419) is 2-(4-aminophenyl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-cyclohexylethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-cyclohexylethanone is Nc1ccc(CC(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-cyclohexylethanone?
The InChIKey is DKMNIKJKCLHBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12H,1-5,10,15H2.
What are the key properties of 2-(4-aminophenyl)-1-cyclohexylethanone?
2-(4-aminophenyl)-1-cyclohexylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-cyclohexylethanone is sourced from PubChem (CID 116549419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).