2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone

C20H23NO2 — CID 46307497

IUPAC2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
SMILESNc1cccc(OCC(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C20H23NO2/c21-18-7-4-8-19(13-18)23-14-20(22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14,21H2
InChIKeyNXMKVFWSBPPWEB-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.58
Rot. Bonds5

About 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone

2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone (PubChem CID 46307497) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
PubChem CID46307497
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
SMILESNc1cccc(OCC(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C20H23NO2/c21-18-7-4-8-19(13-18)23-14-20(22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14,21H2
InChIKeyNXMKVFWSBPPWEB-UHFFFAOYSA-N
XLogP4.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-iodobenzoate
CID 4673675
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-chlorobenzoate
CID 1327389
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 23931842
3-cycloheptylaniline
CID 22019641
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 4993605
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 18206257
[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676785
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 3997884
[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468729

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone (CID 46307497) is 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone is Nc1cccc(OCC(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone?
The InChIKey is NXMKVFWSBPPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c21-18-7-4-8-19(13-18)23-14-20(22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14,21H2.
What are the key properties of 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone?
2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone is sourced from PubChem (CID 46307497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).