1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone

C17H25NO — CID 116579990

IUPAC1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C17H25NO/c1-12(2)14-9-7-13(8-10-14)11-17(19)15-5-3-4-6-16(15)18/h7-10,12,15-16H,3-6,11,18H2,1-2H3
InChIKeyDIMIVEOJOHEEFO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.44
Rot. Bonds4

About 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone

1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 116579990) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID116579990
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C17H25NO/c1-12(2)14-9-7-13(8-10-14)11-17(19)15-5-3-4-6-16(15)18/h7-10,12,15-16H,3-6,11,18H2,1-2H3
InChIKeyDIMIVEOJOHEEFO-UHFFFAOYSA-N
XLogP3.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
1-(2-aminocyclohexyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116580018
1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114241844
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 171941294
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone (CID 116579990) is 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)C2CCCCC2N)cc1.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is DIMIVEOJOHEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)14-9-7-13(8-10-14)11-17(19)15-5-3-4-6-16(15)18/h7-10,12,15-16H,3-6,11,18H2,1-2H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116579990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).