1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone

C14H18FNO — CID 116557206

IUPAC1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H18FNO/c15-12-3-1-2-10(8-12)9-14(17)11-4-6-13(16)7-5-11/h1-3,8,11,13H,4-7,9,16H2
InChIKeyAOODPQVIAPHUDX-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone

1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116557206) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
PubChem CID116557206
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H18FNO/c15-12-3-1-2-10(8-12)9-14(17)11-4-6-13(16)7-5-11/h1-3,8,11,13H,4-7,9,16H2
InChIKeyAOODPQVIAPHUDX-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944859
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone (CID 116557206) is 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone is NC1CCC(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is AOODPQVIAPHUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-3-1-2-10(8-12)9-14(17)11-4-6-13(16)7-5-11/h1-3,8,11,13H,4-7,9,16H2.
What are the key properties of 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone?
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116557206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).