1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C15H20FNO2 — CID 116579985

IUPAC1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CCCCC2N)c1F
InChIInChI=1S/C15H20FNO2/c1-19-14-8-4-5-10(15(14)16)9-13(18)11-6-2-3-7-12(11)17/h4-5,8,11-12H,2-3,6-7,9,17H2,1H3
InChIKeyKAYAORQVNBYDEI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 116579985) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID116579985
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CCCCC2N)c1F
InChIInChI=1S/C15H20FNO2/c1-19-14-8-4-5-10(15(14)16)9-13(18)11-6-2-3-7-12(11)17/h4-5,8,11-12H,2-3,6-7,9,17H2,1H3
InChIKeyKAYAORQVNBYDEI-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800338
2-(2-fluoro-3-methoxyphenyl)-1-(thian-2-yl)ethanone
CID 113453748
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
1-(2-aminocycloheptyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116595331
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-(2-aminocyclohexyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116580018
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 116579985) is 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2CCCCC2N)c1F.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is KAYAORQVNBYDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-14-8-4-5-10(15(14)16)9-13(18)11-6-2-3-7-12(11)17/h4-5,8,11-12H,2-3,6-7,9,17H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 116579985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).