1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone

C15H20FNO — CID 116595083

IUPAC1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
SMILESNC1CCCCCC1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO/c16-12-6-4-5-11(9-12)10-15(18)13-7-2-1-3-8-14(13)17/h4-6,9,13-14H,1-3,7-8,10,17H2
InChIKeyHXOMJFKTIGQYDP-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone

1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116595083) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
PubChem CID116595083
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
SMILESNC1CCCCCC1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO/c16-12-6-4-5-11(9-12)10-15(18)13-7-2-1-3-8-14(13)17/h4-6,9,13-14H,1-3,7-8,10,17H2
InChIKeyHXOMJFKTIGQYDP-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone (CID 116595083) is 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone is NC1CCCCCC1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is HXOMJFKTIGQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-12-6-4-5-11(9-12)10-15(18)13-7-2-1-3-8-14(13)17/h4-6,9,13-14H,1-3,7-8,10,17H2.
What are the key properties of 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone?
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 249.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116595083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).