1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone

C14H19NO2 — CID 116557390

IUPAC1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H19NO2/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-2,7-8,11-12,16H,3-6,9,15H2
InChIKeyWPKODIAENQMGSL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone

1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 116557390) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
PubChem CID116557390
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H19NO2/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-2,7-8,11-12,16H,3-6,9,15H2
InChIKeyWPKODIAENQMGSL-UHFFFAOYSA-N
XLogP2.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
CID 116587269
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401
1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone
CID 116587555

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone (CID 116557390) is 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone is NC1CCC(C(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is WPKODIAENQMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-2,7-8,11-12,16H,3-6,9,15H2.
What are the key properties of 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone?
1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 116557390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).